After data preprocessing in Progenesis QI, metabolic features were extracted. For each feature, the software performed database searching to match experimental data with reference metabolite information. A mass deviation tolerance of 5 ppm was set for accurate mass matching to ensure reliability.
"],"repository":["MetaboLights"],"study_status":["Public"],"ptm_modification":[""],"instrument_platform":["Liquid Chromatography MS - positive - HILIC","Liquid Chromatography MS - negative - HILIC"],"chromatography_protocol":["Positive ion mode (POS):
Mobile phase A: 10 mM ammonium formate in acetonitrile:water (6:4, v/v) with 0.1% formic acid.
Mobile phase B: 10 mM ammonium formate in isopropanol:acetonitrile (9:1, v/v) with 0.1% formic acid.
Negative ion mode (NEG):
Mobile phase A: 10 mM ammonium formate in acetonitrile:water (6:4, v/v) with 0.1% formic acid.
Mobile phase B: 10 mM ammonium formate in isopropanol:acetonitrile (9:1, v/v) with 0.1% formic acid.
Samples were separated using a micro-liter flow ultra-high performance liquid chromatography (UHPLC) system, Nexera UHPLC LC-30A. First, the chromatographic column was equilibrated with 70% mobile phase A. Subsequently, samples were delivered to an Acclaim C30 liquid chromatography column (Waters, Acclaim C30, 2.1×100 mm) via an autosampler, with a flow rate of 0.26 mL/min.
The elution gradient was as follows: starting with 30% mobile phase B, then increasing mobile phase B from 30% to 100% over the next 20 minutes and maintaining 100% mobile phase B for 5 minutes of elution. After that, it was adjusted back to 30% mobile phase B within 0.1 minutes, followed by a 2.9-minute washing period at 30% mobile phase B.
"],"publication":["Plasma metabolomic and lipidomic signatures characteristic of treatment non-response in rheumatoid arthritis. 10.3389/fimmu.2026.1787287."],"submitter_affiliation":["Taizhou Hospital of Zhejiang Province affiliated to Wenzhou Medical University"],"submitter_name":["Jiaxi Chen"],"organism_part":["blood plasma"],"technology_type":["mass spectrometry assay"],"disease":[""],"extraction_protocol":["Samples were slowly thawed at 4°C. An appropriate amount of sample was taken and mixed with 4 volumes of pre-cooled methanol/water solution (2:1, v/v), followed by vortexing for 30 seconds. Then, 8 volumes of MTBE (methyl tert-butyl ether) solution were added, vortexed for 30 seconds, and subjected to low-temperature ultrasonication for 30 minutes. After centrifugation at 14,000 g and 4°C for 10 minutes, the upper layer of the stratified liquid was transferred to a new EP tube, dried under vacuum at room temperature, and stored at -80°C.
Preparation of quality control (QC) samples: Equal volumes of all samples were pooled to prepare QC samples. The QC samples were processed in parallel using the above-described method, lyophilized, and stored at low temperature for later use.
"],"organism":["Homo sapiens"],"full_dataset_link":["https://www.ebi.ac.uk/metabolights/MTBLS13243"],"author":["Jiani Chen. Taizhou Hospital of Zhejiang Province affiliated to Wenzhou Medical University. 503192838@qq.com.","Jiaxi Chen. Taizhou Hospital of Zhejiang Province affiliated to Wenzhou Medical University. chenjx@enzemed.com."],"data_transformation_protocol":["The raw mass spectrometry data (RAW files) generated by the Q Exactive HF-X mass spectrometer were first converted into open-format files using Thermo Fisher Xcalibur software to ensure compatibility with downstream analysis platforms. This conversion step retained key information such as retention time, m/z values, and ion intensities while standardizing the data structure.
Subsequently, the converted data were imported into Progenesis QI software for further preprocessing.
"],"study_factor":["Treatment","Disease staging"],"submitter_email":["chenjx@enzemed.com"],"sample_collection_protocol":["Peripheral blood samples were collected from 30 patients with RA and 10 HC. All RA patients fulfilled the diagnostic criteria established by the American College of Rheumatology (ACR) or the European League Against Rheumatism (EULAR) guidelines. All RA participants were receiving treatment with at least one DMARD and fulfilled the following inclusion criteria: age ≥18 years and a disease duration of at least 6 weeks. Exclusion criteria for RA patients included: (1) a diagnosis of any autoimmune disease other than RA, (2) a history of severe chronic infections or the presence of any current infection, (3) diagnosis of cancer, (4) pregnancy or lactation. HC were required to meet the inclusion criteria of being ≥18 years old with normal results from recent liver and kidney function tests. The exclusion criteria for healthy controls were: (1) a diagnosis of any autoimmune disease, (2) a history of severe chronic infections or the presence of any current infection, (3) diagnosis of cancer, and (4) pregnancy or lactation. Venous blood samples were obtained from all participants in the morning prior to breakfast. Following collection, blood samples were centrifuged to isolate plasma, which was stored at −80 °C until further analysis. Details of the cohort can be found in Table 1 of the paper associated with this study.
"],"omics_type":["Metabolomics"],"study_design":["blood plasma","QC sample metric","untargeted analysis","Thermo Scientific Q Exactive HF-X","ultra-performance liquid chromatography","untargeted metabolites","Homo sapiens","lipid","rheumatoid arthritis"],"curator_keywords":["blood plasma","QC sample metric","untargeted analysis","Thermo Scientific Q Exactive HF-X","ultra-performance liquid chromatography","untargeted metabolites","Homo sapiens","lipid","rheumatoid arthritis"],"mass_spectrometry_protocol":["After separation by the analytical column, the samples were analyzed using a Q Exactive HF-X mass spectrometer.
For full-scan MS (MS¹), the mass-to-charge (m/z) range for precursor ions was 200–2000, with a resolution of 120,000, an automatic gain control (AGC) target of 1e6, and a maximum ion injection time (IT) of 100 ms.
For tandem MS (MS²), the resolution was 15,000, with an AGC target of 2e5 and a maximum IT of 80 ms. Higher-energy collisional dissociation (HCD) was used for fragmentation, with normalized collision energies (NCE) set at 20, 40, and 60. The isolation window was 1.5 m/z, and the m/z range for product ions was 200–2000.
"],"metabolite_name":["Fucoxanthinol 3-oleate","TG(17:0/18:2(9Z,12Z)/19:1(9Z))[iso6]","Heavenly blue anthocyanin","FAHFA(18:1/34-O-34:1)","CerPE(d14:2(4E,6E)/19:0)","TG(17:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]","PE(P-16:0/16:1(9Z))","Piceatannol","PC(P-16:0/15:1(9Z))","DG(16:0/17:0/0:0)[iso2]","MG(0:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)","N-decanoyl-homoserine lactone","Cer(t20:0/22:0(2OH))","DG(19:1(9Z)/18:1(9Z)/0:0)[iso2]","PE(18:0/22:6(4Z,7Z,10Z,12E,16Z,19Z)(14OH))","3-hydroxyarachidonoylcarnitine","GlcCer(d16:1(4E)(15Me)/24:0(2OH)","1alpha-hydroxyvitamin D2","DG(14:0/16:0/0:0)[iso2]","7alpha,12alpha,25-Trihydroxycholest-4-en-3-one","Vitixanthin","PC(O-16:0/2:0)","alpha-androstenol","PI(18:2(9Z,12Z)/16:0)","PE(20:0/18:1(9Z))","17-HOME(9Z)","DG(18:0/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2]","TG(18:4(6Z,9Z,12Z,15Z)/19:0/19:0)[iso3]","Cer(d18:2/24:0)","TG(18:3(9Z,12Z,15Z)/19:0/20:0)[iso6]","PS(19:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","22:3 Stigmasterol ester","1alpha-hydroxy-26,27-dinorvitamin D3 25-carboxylic acid / 1alpha-hydroxy-26,27-dinorcholecalciferol 25-carboxylic acid","DG(18:4(6Z,9Z,12Z,15Z)/17:2(9Z,12Z)/0:0)[iso2]","POV-PG","PE(18:2(9Z,12Z)/22:1(11Z))","alantolactone","TG(18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))[iso6]","PI(O-20:0/20:0)","3-Methoxy-3'-hydroxyleprotene","O-decanoyl-R-carnitine","1-(6-[5]-ladderane-hexanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol","1-O-(2R-hydroxy-octadecyl)-sn-glycerol","PE(20:5(5Z,8Z,11Z,14Z,17Z)/17:1(9Z))","TG(18:1(9Z)/18:2(9Z,12Z)/19:0)[iso6]","Gentiopicrin","Muricellaxanthin","TG(17:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso6]","DG(18:1(9Z)/20:3(8Z,11Z,14Z)/0:0)[iso2]","(S)-(-)-N-(alpha-methylbenzyl)-oleamide","PI(O-18:0/17:0)","Sophoranone","1-Tridecene","Anhydroeschscholtzxanthin","16:2-Glc-Cholesterol","LacCer(d18:1/16:0)","3-hydroxyeicosanoylcarnitine","MG(0:0/20:4(5Z,8Z,11Z,14Z)/0:0)","GlcCer(d18:0/14:0)","PS(O-20:0/18:2(9Z,12Z))","Palmitaldehyde","PG(16:1(9Z)/22:2(13Z,16Z))","Phellonic acid","O-octanoyl-R-carnitine","22S-acetoxy-6beta,19-epoxycholestan-3alpha,5alpha,25-triol","N-(3-oxo-octanoyl)-homoserine lactone","PA(O-16:0/22:4(7Z,10Z,13Z,16Z))","SM(d18:2/20:1)","PG(22:0/22:1(11Z))","OKHdiA-PA","Lauryl palmitoleate","PE(22:0/22:2(13Z,16Z))","TG(17:0/18:1(9Z)/18:2(9Z,12Z))[iso6]","DG(17:0/18:2(9Z,12Z)/0:0)[iso2]","PA(O-18:0/21:0)","2-docosyl-3-hydroxy-38-carboxy-tetratriacontanoic acid","TG(14:0/14:1(9Z)/15:0)[iso6]","GlcCer(t20:1(11Z)/23:1(15E)(2OH[S],17OH))","TG(18:1(9Z)/18:1(9Z)/21:0)[iso3]","9,16-dihydroxy-palmitic acid","3-hydroxy-dodecanedioic acid","Cer(m18:1(4E)/26:0)","Halistanol sulfonic acid B","14-fluoro-myristic acid","DG(18:0/18:0/0:0)","DG(15:0/20:3(8Z,11Z,14Z)/0:0)[iso2]","N6-myristoyl lysine","PG(12:0/17:2(9Z,12Z))","Gibberellin A44 diacid","2-hydroxy-hexacosanoic acid","PI(O-20:0/22:1(11Z))","Dulcoside A","TG(20:5(5Z,8Z,11Z,14Z,17Z)/21:0/22:3(10Z,13Z,16Z))[iso6]","PE(18:0/20:4(5Z,8Z,10E,14Z)(12OH[S]))","TG(18:0/20:2(11Z,14Z)/22:2(13Z,16Z))[iso6]","18:1 Sitosterol ester","9,10,12,13-tetrabromo-stearic acid","1-O-lignoceroyl-Cer(d18:1/16:0)","19-oxodesacetylcinobufagin","TG(17:2(9Z,12Z)/22:3(10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6]","TG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))[iso6]","ascr#29","3-carboxy-4-methyl-5-(4-oxopentyl)-2-furanpropanoic acid","PI(19:0/22:0)","3-O-alpha-L-rhamnopyranosyl-3-hydroxy-5Z-tetradecenoyl-3-hydroxydecanoic acid","Bisanhydrobacterioruberin","4-keto pentadecanoic acid","24-keto-25dehydrocholestanol","TG(13:0/18:0/22:0)[iso6]","Cer(d20:0/24:0(2OH))","PS(22:0/19:0)","1'',2''-Dihydro-O-methylcyclopomiferin","Cer(m18:0/24:0)","PC(16:0/18:1(9Z))","TG(15:0/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]","ascr#11","Denticulaflavonol","Decaprenoxanthin monoglucoside","SM(d18:1/25:0)","PG(12:0/19:0)","1-(6-[5]-ladderane-hexanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerophosphoethanolamine","PI-Cer(d18:0/18:0)","7-F2-dihomo-IsoP","LPIM5(18:0/0:0)","3beta,4beta,5-Trimethoxy-4'-hydroxy- (6:7)-2,2-dimethylpyranoflavan","PA(P-16:0/14:1(9Z))","Pentalinonsterol","PS(16:0/20:0)","PA(18:3(6Z,9Z,12Z)/22:0)","TG(18:1(9Z)/20:1(11Z)/22:0)[iso6]","22:2 Stigmasterol ester","20-Fluoroeicosanoic acid","Dracontioside B","2-methyl-dodecanedioic acid","5-dihydroergosteryl-linoleate","TG(16:0/16:0/18:3(9Z,12Z,15Z))[iso3]","Cer(d18:2/16:0)","TG(20:2(11Z,14Z)/18:3(6Z,9Z,12Z)/20:2(11Z,14Z)) (d5)","DG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]","2-Htcptmn","all-trans-4-oxoretinoic acid","PI(O-18:0/18:3(6Z,9Z,12Z))","TG(17:2(9Z,12Z)/18:0/22:3(10Z,13Z,16Z))[iso6]","PC(18:0/20:3(5Z,8Z,11Z))","Behenoyl-EA","DG(14:0/18:1(9Z)/0:0)[iso2]","TG(16:0/18:0/20:1(11Z))[iso6]","1-O-pentacosanoyl-Cer(d18:1/16:0)","PC(16:0/15:1(14))","PG(O-18:0/22:2(13Z,16Z))","Lycocasuarinen acid C","3,4,4'-Trihydroxypirardixanthin","TG(12:0/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))[iso6]","PA(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","Aragusteroketal","PI(O-16:0/17:1(9Z))","1alpha,25-dihydroxy-21-nor-20-oxavitamin D3 / 1alpha,25-dihydroxy-21-nor-20-oxacholecalciferol","Gibberellin A8","all-trans-nonaprenyl diphosphate","Myristoleyl linoleate","TG(18:1(9Z)/21:0/22:0)[iso6]","Cer(m18:1(4E)/22:0)","PA(18:4(6Z,9Z,12Z,15Z)/0:0)","PG(P-16:0/14:1(9Z))","16:3 Stigmasterol ester","TG(17:2(9Z,12Z)/22:3(10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))[iso6]","TG(18:1(9Z)/20:2(11Z,14Z)/22:0)[iso6]","5a-Androst-3-en-17-one","GlcCer(d18:2(4E,8Z)/19:0(2OH[R]))","TG(18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))[iso6]","SM(d18:1/17:0)","PA(O-16:0/18:0)","catechin 3-eicosanoate","2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E.24E,26E-hexacosadodecaenal","TG(21:0/22:1(13Z)/22:3(10Z,13Z,16Z))[iso6]","PE(18:3(6Z,9Z,12Z)/0:0)","DG(15:0/0:0/15:0) (d5)","Rifamycin","PC(19:0/0:0)","Cer(d18:1/29:0)","SM(d18:0/18:0)","N-oleoyl threonine","Cyclic archaeol with two cyclopentane rings","Herculin","omega-linoleoyloxy-Cer(t18:1(6OH)/33:0)","Cer(t18:0/24:0)","PIP[3'](16:0/18:1(9Z))","PE(18:0/18:2(9Z,12Z))","SM(d18:2/15:0)","Argenonic acid","Cer(d18:1/30:0)","24:3(15Z,18Z,21Z)","DG(17:0/0:0/17:0) (d5)","TG(17:2(9Z,12Z)/20:2(11Z,14Z)/22:0)[iso6]","C16 Sphinganine","DG(14:1(9Z)/16:0/0:0)[iso2]","GlcCer(d18:1/16:0)","3-Deoxy-3-azido-25-hydroxyvitamin D3","Safynol","Pelargonidin 3-(4'''-p-coumarylrutinoside)-5-glucoside","IC202C","IC202B","TG(12:0/14:1(9Z)/14:1(9Z))[iso3]","DG(15:0/18:2(9Z,12Z)/0:0)[iso2]","TG(12:0/12:0/16:1(9Z))[iso3]","PC(O-18:2(9Z,12Z)/24:0)","TG(16:0/17:0/18:1(9Z))[iso6]","SM(d17:1/24:1)","TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]","N-palmitoyl valine","PE(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))","PC(18:2(9Z,12Z)/17:1(9Z))","PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","AC2SGL(16:0/30:0(2Me[S],4Me[S],6Me[S],8Me[S],10Me[R],12Me[R],14Me[R],15OH))","OKOHA-PS","Stearic acid","CerPE(d15:2(4E,6E)/22:0(2OH))","PS(P-20:0/0:0)","PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z))","1-(6-[3]-ladderane-hexanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phospho-(1'-sn-glycerol)","Ventosic acid","SM(d18:1/26:1(17Z))","O-(17-carboxyheptadecanoyl)carnitine","TG(17:0/18:1(9Z)/22:3(10Z,13Z,16Z))[iso6]","PC(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","Termitomycesphin F","PI(P-18:0/22:0)","Sitostanyl-20:0","22:0 Cholesterol ester","15-oxo-18Z-tetracosenoic acid","Termitomycesphin E","Chenodeoxycholic acid 3-sulfate","Termitomycesphin B","omega-hydroxy myristic acid","(3R)-14-Methyleicos-1-yn-3-ol","(8Z,d18:1) sphingosine","Adrenoyl-EA","SM(d16:1/23:0)","Deinoxanthin","omega-linoleoyloxy-Cer(d19:0/28:0)","Pileadimenthenol A","TG(17:2(9Z,12Z)/18:1(9Z)/19:0)[iso6]","20:3 Sitosterol ester","Cyanidin","TG(15:0/18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z))[iso6]","PC(16:0/23:5(8E,11E,14E,17E,20E))","(+)-2-Sterpurene-6,12,15-triol","Cer(d18:2/28:0)","(2R)-2-Hydroxy-beta-carotene","TG(15:0/17:0/17:0)[iso3]","TG(18:1(9Z)/18:2(9Z,12Z)/20:1(11Z))[iso6]","OKODiA-PI","TG(18:0/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]","Lignoceric acid","TG(20:1(11Z)/21:0/22:1(13Z))[iso6]","PC(P-20:0/17:2(9Z,12Z))","SM(d19:1/18:0)","PC(P-20:0/0:0)","TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]","Fluoxymesterone","Luteolin 4'-methyl ether 7,3'-disulfate","2-Methoxyestrone 3-glucuronide","16alpha-hydroxygypsogenic acidid","PG(P-20:0/22:2(13Z,16Z))","20:3 Campesterol ester","PA(12:0/12:0)","PC(24:0/0:0)","TG(16:0/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]","Avenoleic acid","Campesteryl glucoside","TG(21:0/22:0/22:1(13Z))[iso6]","Bilobol","Prosopinine","PC(20:3(8Z,11Z,14Z)/22:2(13Z,16Z))","PA(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","Cer(t18:1(6OH)/15:0(2OH))","PC(16:0/20:5(5Z,8Z,11Z,14Z,17Z))","TG(16:0/19:1(9Z)/22:0)[iso6]","Arachidic acid","N-(3-oxo-5Z-dodecenoyl)-homoserine lactone","PI(20:3(8Z,11Z,14Z)/18:0)","6,9,12-Nonacosatriene","TG(18:0/18:1(9Z)/20:1(11Z))[iso6]","N-(3-oxo-octanoyl)-homoserine thiolactone","20-oxo-heneicosanoic acid","11alpha-ethyl-1alpha,25-dihydroxyvitamin D3","DGDG(18:2(9Z,12Z)/14:0)","3-Hexaprenyl-4-hydroxybenzoic acid","PE(O-18:0/22:1(11Z))","GlcCer(d21:2(4E,9Z)(19Me)/17:0(2OH[R]))","Squalen-1-ol","cholesteryl beta-D-glucoside","PE(18:1(9Z)/18:2(9Z,12Z))","Sarcoehrendin G","PG(19:0/16:0)","PS(20:3(8Z,11Z,14Z)/0:0)","PA(20:0/22:2(13Z,16Z))","PC(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","TG(14:1(9Z)/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso6]","Erectusfuranone A","1-(2-methoxy-eicosanyl)-sn-glycero-3-phosphoethanolamine","TG(13:0/22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z))[iso6]","DG(15:1(9Z)/18:3(9Z,12Z,15Z)/0:0)[iso2]","PC(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","10E,14E-octadecadienoic acid","TG(16:0/18:1(9Z)/18:3(9Z,12Z,15Z))[iso6]","22-methyl-5Z,9Z-triacontadienoic acid","1,2-di-(9Z,12Z,15Z-octadecatrienoyl)-3-(8-(2E,4Z-decadienoyloxy)-5,6-octadienoyl)-sn-glycerol","TG(16:0/18:1(9Z)/22:0)[iso6]","Undecaprenyl phosphate mannose","PS(O-20:0/20:0)","PE(18:0/22:0)","DG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)[iso2]","TG(14:0/16:1(9Z)/17:1(9Z))[iso6]","PS(P-20:0/20:4(5Z,8Z,11Z,14Z))","18:2 Sitosterol ester","26-hydroxycholesterol 3-sulfate","9-hydroxy-hexadecan-1,16-dioic acid","(E,E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl dodecanoate","DG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]","PA(12:0/20:4(5Z,8Z,11Z,14Z))","DG(22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/0:0)","TG(15:0/16:1(9Z)/18:2(9Z,12Z))[iso6]","DGDG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))","Tetracosanoic acid, 15,16-dihydroxy-, methyl ester","22-tricosenoic acid","PE(P-18:0/20:3(8Z,11Z,14Z))","Cyanidin 3,5-di-(6-malonylglucoside)","Prunin 6''-O-gallate","PI-Cer(t18:0/18:0)","PG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))","TG(8:0/16:2(9Z,12Z)/8:0)","23,23-difluoro-1alpha,25-dihydroxyvitamin D3","2-Demethylmenaquinone-9","TG(18:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3]","1'-Hydroxy-4-keto-gamma-carotene glucoside hexadecanoate","(+/-) 5-iPF2alpha-VI-(d11)","3-heptadecylphenol","Luteolin 7,3'-disulfate","PS-PS","Cholest-5-ene","18:0-Glc-Campesterol","Azithromycin","PGD2-d4","Suberoretisteroid E","FAHFA(18:2/15-O-18:2)","1-eicosanoyl-2-docosanoyl-sn-glycero-3-phosphosulfocholine","DG(12:0/18:3(9Z,12Z,15Z)/0:0)[iso2]","Tutin","3Z,13Z-octadecadien-1-ol","TG(17:0/18:1(9Z)/20:3(8Z,11Z,14Z))[iso6]","PC(O-16:0/17:1(9Z))","PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))","12-Hydroxy-12-octadecanoylcarnitine","CerPE(d16:1(4E)/18:0(2OH))","22:2 Campesterol ester","PG(O-18:0/18:3(6Z,9Z,12Z))","PG(22:0/22:2(13Z,16Z))","Cyathsterone B","TG(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]","Cerebroside E","GlcCer(d14:1/18:1)","DG(16:0/18:1(11Z)/0:0)","PA(P-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","Tobiraxanthin D","Arachidonoyl Serotonin","PC(18:0/20:4(5Z,8Z,11Z,14Z))","GlcCer(t16:0(14Me)/23:0(2OH[R]))","PC(O-16:1(11Z)/0:0)","TG(12:0/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]","2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phosphocholine","Phalluside-1","PC(P-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","Catacerebroside A","7-oxo-11E,13-Tetradecadienoic acid","(+)-Desoxyscalarin","Cer(d18:2/20:0)","PC(O-18:1(11Z)/0:0)","OHHdiA-PS","TG(18:1(9Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]","PA(18:3(6Z,9Z,12Z)/0:0)","E-Petromylidene B","PC(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","TG(18:0/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6]","1-O-(2R-methoxy-4Z-octadecenyl)-sn-glycerol","Ganocasurarin B","(2E,4Z)-decadienoylcarnitine","22:0-Glc-Stigmasterol","18-oxo-nonadecanoic acid","11beta-PGF2alpha-d4","1-O-alpha-D-glucopyranosyl-(2-hexadecanoyloxy)-eicosan-1-ol","Plastoquinol-1","2-Hydroxyhexadecanoylcarnitine","PC(O-14:0/16:0)","PG(O-16:0/22:4(7Z,10Z,13Z,16Z))","4alpha-methyl,24-methylene-cholest-7-en-3beta-ol","3-hydroxyisovalerylcarnitine","Daumone","20:5 Cholesterol ester","TG(16:0/18:0/22:0)[iso6]","PC(O-20:0/17:2(9Z,12Z))","PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)","4,24-Dimethylcholest-24-en-3beta-ol","TG(14:0/16:0/17:0)[iso6]","Cer(d18:0/24:0)","Alatanin 2","3E-Tetradecen-1-ol","PE(O-18:0/22:2(13Z,16Z))","DG(15:0/16:1(9Z)/0:0)[iso2]","GlcCer(d16:1(4E)(15Me)/21:0(2OH)","PA(19:0/0:0)","oleanolic acid 3-O-beta-D-glucosiduronic acid","PE(20:2(11Z,14Z)/0:0)","10Z-Nonadecenal","(-)-Cuminone F","Stearamide","4,6-Decadiyn-1-ol isovalerate","ascr#33","PS(O-20:0/22:4(7Z,10Z,13Z,16Z))","TG(17:2(9Z,12Z)/20:0/20:4(5Z,8Z,11Z,14Z))[iso6]","PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))","PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))","PC(O-18:0/22:2(13Z,16Z))","TG(18:2(9Z,12Z)/20:0/21:0)[iso6]","4-heptyl-2-methyl-2-undecenoic acid","5E-Dodecen-1-ol","2-Hydroxylauroylcarnitine","3-O-alpha-L-arabinosyl oleanolic acid","PC(20:0/20:2(11Z,14Z))","DG(14:1(9Z)/14:1(9Z)/0:0)","27-Norcholestanehexol","PC(O-16:0/18:0)","PC(16:0/10:0)","TG(16:0/18:0/16:0) (d5)","omega-linoleoyloxy-Cer(d18:1/29:0)","Equisetolic acid","TG(18:3(9Z,12Z,15Z)/19:0/22:2(13Z,16Z))[iso6]","fecosteryl palmitoleate","convallatoxin","TG(17:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso3]","GlcCer(d16:1/18:0)","GM3(d18:1/22:0)","GM4(d18:1/16:0)","PE(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","TG(15:0/20:2(11Z,14Z)/22:1(11Z))[iso6]","4'-Hydroxy-4-(4-hydroxystyryl)-7-methoxyflavan","PG(O-18:0/20:3(8Z,11Z,14Z))","Flavocristamide B","9-tridecynoic acid","Lepadin D","(+)-Blennin D","Phellogenic acid","(4Z)-decenoylcarnitine","TG(20:4(5Z,8Z,11Z,14Z)/21:0/22:1(13Z))[iso6]","PI(18:0/16:0)","Carissin","PE(17:0/18:2(9Z,12Z))","Monoanhydrobacterioruberin","TG(12:0/12:0/14:1(9Z))[iso3]","N-stearoyl arginine","Hellebrigenin-3-(12-hydroxy-laurate)","PE(15:0/22:0)","Didymocalyxin B","N-(4-benzenesulfonamide) arachidonoyl amine","PIM4(16:0/18:0)","omega-linoleoyloxy-Cer(t21:1(6OH)/31:0)","Type IV cyanolipid 18:0 ester","PC(O-20:0/19:1(9Z))","Oreacerebroside C","TG(16:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso6]","Cer(d18:1/22:0)","Oreacerebroside E","Palmitoylcarnitine","TG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6]","Oreacerebroside A","Didrovaltratum","Squamone","PE(P-20:0/22:1(11Z))","lanostane","1-(6-[5]-ladderane-hexanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerophosphocholine","Cer(d18:1(4E)/23:0(2OH))","3,3-Dibromo-2-n-hexylacrylic acid","N-(13-methyl-tetradecanoyl)-capnine","12alpha-Hydroxy-5beta-chol-3-en-24-oic Acid","PS(P-20:0/21:0)","3-O-alpha-L-rhamnopyranosyl-3-hydroxy-7Z-dodecenoyl-3-hydroxydecanoic acid","Dihydrodecaprenoxanthin glucoside","PC(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","SM(d16:1/18:1)","Octadecyl fumarate","CL(1'-[16:0/20:0],3'-[18:1(9Z)/20:0])","1-(8-[5]-ladderane-octanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phospho-(1'-sn-glycerol)","GlcCer(t18:1(8Z)/26:0(2OH[R]))","Decaprenoxanthin","6Z,9Z,12Z,15Z,18Z-tetracosapentaenoic acid","FAHFA(18:1/32-O-32:1)","PC(P-20:0/18:3(6Z,9Z,12Z))","TG(21:0/22:0/22:3(10Z,13Z,16Z))[iso6]","PE(17:0/20:4(5Z,8Z,11Z,14Z))","GlcCer(d18:2/23:0)","PIM1(16:0/16:0)","(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epivitamin D3","TG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]","PI(O-16:0/22:1(11Z))","PI(20:4(5Z,8Z,11Z,14Z)/16:0)","13-tetradecen-2,4-diyn-1-ol","Cer(d18:1/34:0)","CerPE(d14:1(4E)/24:1(15Z)(2OH))","TG(15:0/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]","PC(17:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","2',4',6'-Trihydroxy-3',5'-diprenyldihydrochalcone","18:3 Cholesterol ester","7Z,11Z-Heptacosadiene","TG(18:0/22:0/22:0)[iso3]","SM(d18:1/14:0)","glas#20","Stearoylcarnitine","omega-linoleoyloxy-Cer(t18:1(6OH)/29:0)","N-arachidonoyl-dopamine-d8","4E,14Z-Sphingadiene","Chandalone","3beta-Hydroxy-24-norchol-5-en-23-oic acid","SM(d18:2/18:1)","CerPE(d15:2(4E,6E)/20:0(2OH))","PS(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","3,3'-Dimethoxyleprotene","Glabridin","Dehydroabietic acid","Gibberellin A51-catabolite","Gb3(d18:1/26:1(17Z))","(6S)-dehydrovomifoliol","GlcCer(t16:0(15Me)/21:0(2OH[R]))","PC(O-12:0/2:0)","DG(18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z)/0:0)[iso2]","Cer(t18:1(6OH)/33:0(33OH))","Cholesterol(d7)","PC(O-17:0/0:0)","Fucoxanthinol 3-myristate 3'-palmitate","2-ethylacryloylcarnitine","PC(18:3(6Z,9Z,12Z)/19:1(9Z))","(25S)-3-oxo-12beta-acetoxy-cholest-1,4-dien-26-oic acid","TG(16:0/20:1(11Z)/22:0)[iso6]","14,15-HxA3-C(11S)","C25:2 6,7-Epoxy highly branched isoprenoid","DG(15:0/16:0/0:0)[iso2]","TG(16:0/17:0/18:0)[iso6]","GlcCer(d18:2/22:0)","PS(O-20:0/0:0)","Semiplenamide D","PG(O-18:0/14:0)","TG(20:5(5Z,8Z,11Z,14Z,17Z)/21:0/22:0)[iso6]","TG(18:1(9Z)/21:0/22:3(10Z,13Z,16Z))[iso6]","N-lignoceroyl taurine","delta-hexadecalactone","4,4'-Diketolycopene","3E,6Z-Heneicosadien-11-one","PE(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","3-hydroxyl-2',5-dimethoxy-2-methylbibenzyl","Teasterone","beta-Apo-2'-carotenol","PGF2alpha-EA(d4)","TG(18:0/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3]","PC(P-16:0/20:5(5Z,8Z,11Z,14Z,17Z))","Pentadecyl palmitoleate","TG(14:0/15:0/16:0)[iso6]","Stoloniferone K","PA(O-16:0/20:3(8Z,11Z,14Z))","PE(16:0/0:0)","5a-Androstan-3b-ol","PG(16:0/22:2(13Z,16Z))","TG(17:0/22:3(10Z,13Z,16Z)/22:3(10Z,13Z,16Z))[iso3]","1-Docosene","TG(18:0/22:0/22:1(13Z))[iso6]","dasc#1","OKOOA-PE","Vaccenic acid ethanolamide","PC(13:0/20:5(5Z,8Z,11Z,14Z,17Z))","1,6Z,9Z-Heptadecatriene","TG(15:0/16:0/18:2(9Z,12Z))[iso6]","Luteone (isoflavone)","N-(3-hydroxy-decanoyl)-homoserine lactone","(25S)-3-oxo-cholest-1,4-dien-26-sulfate","PA(O-18:0/19:1(9Z))","GM3(d18:1/18:0)","bayogenin","N-oleoyl alanine","PS(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","PC(O-16:0/15:0)","PI(21:0/22:1(11Z))","Gorgost-5-ene-3beta,7alpha,11alpha,12beta,15alpha-pentol 12,15-diacetate","CL(1'-[16:0/18:2(9Z,12Z)],3'-[16:0/18:1(9Z)])","CerP(d18:1/22:0)","PI(20:1(11Z)/22:4(7Z,10Z,13Z,16Z))","TG(22:0/22:1(13Z)/22:3(10Z,13Z,16Z))[iso6]","PC(20:0/22:4(7Z,10Z,13Z,16Z))","CL(1'-[16:0/18:0],3'-[20:0/20:0])","5-dihydroergosteryl-palmitate","CL(1'-[18:0/20:0],3'-[18:2(9Z,12Z)/20:0])","2-Hydroxymyristoylcarnitine","9-pentadecen-1-ol","18:1 Cholesterol ester","9S,10R-Epoxy-1,3Z,6Z-heneicosatriene","PG(22:0/18:2(9Z,12Z))","2,6,10-Trimethyl-(E,E)-2,6,10,12-tridecatetraene","7Z-Octadecene","LacCer(d18:1/24:1(15Z))","Cer(t18:0/16:0(2OH))","1alpha,25-Dihydroxy-21-(3-hydroxy-3-methylbutyl)vitamin D(3)","Glutarylcarnitine","Fasciculic acid B","LacCer(d18:1/18:1(9Z))","TG(16:0/21:0/22:1(13Z))[iso6]","GlcCer(d16:1(4E)(15Me)/25:0(2OH)","Dodecanoylcarnitine","Jambone A","TG(12:0/12:0/14:0)[iso3]","Siphonaxanthin octenoate","3,7-Dimethyl-2E,6-octadienyl acetate","PE(20:3(8Z,11Z,14Z)/0:0)","TG(16:0/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))[iso6]","TG(14:1(9Z)/16:1(9Z)/18:1(9Z))[iso6]","11-Hydroxy-9-tridecenoic acid","TG(14:0/16:0/18:1(9Z))[iso6]","24,24-Difluoro-25-hydroxy-26,27-dimethylvitamin D3","LacCer(d18:1/26:1(17Z))","TG(14:0/14:0/16:0)[iso3]","Tridecyl palmitoleate","7-oxo-11E-Tetradecenoic acid","Prostanoic acid skeleton","1-O-hexadecyl-2-O-octadecanoyl-3-O-beta-D-(3'-sulfo)-galactopyranosyl-sn-glycerol","TG(17:1(9Z)/18:0/19:1(9Z))[iso6]","5,10-pentadecadienal","Cer(d18:2/27:0)","Gorgost-5-en-3beta,7alpha,11alpha,12beta-tetrol 11-acetate","6-bromo-tricosa-5E,9Z-dienoic acid","1,2,3-(8R,9R-epoxy-octadec-13Z,15Z-dien-4,6-diynoyl)-sn-glycerol","(22E,24R)-5alpha,6alpha-epoxy3beta,7alpha,14beta-trihydroxy-ergosta-8,22,dien-15-one","Cer(d18:1/24:1(15Z))","PC(O-16:0/5:0)","Exiguaflavanone D","PG(P-16:0/16:1(9Z))","PC(18:0/18:1(11Z))","Cer(t18:0/24:0(2OH))","Cer(d18:0/18:0)","PC(15:0/18:4(6Z,9Z,12Z,15Z))","Rhodopin","PE(18:4(6Z,9Z,12Z,15Z)/15:1(9Z))","5,9-tetracosadienoic acid","CerPE(d14:1(4E)/20:0)","Cuminone K","DG(18:1(9Z)/20:0/0:0)[iso2]","(22R)-22-hydroxy-24,25,26,27-tetranorvitamin D3 / (22R)-22-hydroxy-24,25,26,27-tetranorcholecalciferol","GlcCer(d15:2(4E,6E)/18:0)","TG(19:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso3]","Demethoxyisogemichalcone C","PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","TG(19:0/22:0/22:0)[iso3]","GlcCer(d18:2(4E,8Z)/16:0)","(2'S)-Deoxymyxol 2'-(2,4-di-O-methyl-alpha-L-fucoside)","PC(18:2(9Z,12Z)/19:0)","PS(18:3(9Z,12Z,15Z)/19:1(9Z))","PG(P-18:0/17:2(9Z,12Z))","10-Nonacosen-2-one","Trilauroyl-glycerol","Cer(d18:1/26:1(17Z))","PE(O-18:0/18:4(6Z,9Z,12Z,15Z))","TG(20:0/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6]","PI(16:0/17:0)","Physalolactone","Fucoxanthinol 3-(7Z,10Z,13Z,16Z,19Z-docosapentaenoate)","1-heptadecyl glycerone-3-phosphate","Arachidyl carnitine","25-acetoxy-ergosta-3beta,5alpha,6beta-triol","PE(16:0/18:3(9Z,12Z,15Z))","TG(13:0/17:0/22:3(10Z,13Z,16Z))[iso6]","PC(O-16:0/18:3(6Z,9Z,12Z))","7beta-acetoxy-gorgostan-3beta,5alpha,6beta-triol","Ngaione (-)","3-Deoxy-25-hydroxyvitamin D3","13-Methyl-1-tritriacontene","PE(22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))","Galalpha1-3(GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/16:0)","6alpha,16beta-diacetoxy-hopan-22-ol","TG(15:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso3]","Gb3(d18:1/22:0)","PE(20:3(8Z,11Z,14Z)/18:0)","Cer(d18:1/32:0(32OH))","DG(15:0/18:3(9Z,12Z,15Z)/0:0)[iso2]","PG(14:1(9Z)/18:3(9Z,12Z,15Z))","20:0 Cholesterol ester","20-carboxy-LTB4","3,3-Dibromo-2-n-butylacrylic acid","Moniliferone B","TG(17:0/20:2(11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso6]","Dehydroepiandrosterone 3-glucuronide","SQGE(16:0/0:0)","DG(17:1(9Z)/19:0/0:0)[iso2]","PC(22:1(11Z)/22:4(7Z,10Z,13Z,16Z))","1,6Z,9Z,12Z,15Z-octadecapenten-3-one","4alpha,14alpha-dimethyl-24-methylene-cholest-7,9(11)-dien-3beta-ol","1-Hexacosene","(-)-Pellynol D","TG(16:0/19:1(9Z)/22:1(11Z))[iso6]","PE(P-16:0/17:2(9Z,12Z))","22:1 Cholesterol ester","5-((8Z,11Z)-nonadeca-8,11-dien-1-yl)resorcinol","Cer(d18:1(4E)/14:0(2OH))","Archaetidylglycerol-myo-inositol","5,10-Pentadecadien-1-ol","2-tetracosyl-3-hydroxy-34-carboxy-tetratriacontanoic acid","TG(20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso3]","TG(14:0/16:0/17:1(9Z))[iso6]","24-hydroxy-tetracosanoic acid","Albanitrile A","PE(0:0/18:2(9Z,12Z))","PA(17:0/22:0)","LacCer(d18:0/18:0)","TG(16:0/18:0/20:0)[iso6]","Palmitamide","Artonin P","Prosafrinine","TG(17:2(9Z,12Z)/20:1(11Z)/22:3(10Z,13Z,16Z))[iso6]","6-deoxoteasterone","6Z-Tetradecene","TG(17:0/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))[iso6]","1-O-(2R-hydroxy-pentadecyl)-sn-glycerol","1alpha,25-dihydroxy-11alpha-phenylvitamin D3","TG(16:0/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]","10-oxo-docosanoic acid","PC(O-14:0/0:0)","PG(12:0/17:1(9Z))","Cyclomorusin","Erythromycin C","Neomethymycin","N-Isobutyl-2E,7Z-tridecadiene-10,12-diynamide","1-O-[(6'-O-tetradecanoyl)-a-D-glucopyranosyl]-(2-tetradecanoyloxy)-eicosan-1-ol","gamma-CEHC Glc","TG(18:3(9Z,12Z,15Z)/19:1(9Z)/22:3(10Z,13Z,16Z))[iso6]","PC(O-16:0/18:1(9Z))","TG(17:0/18:1(9Z)/19:1(9Z))[iso6]","(22E,24R)-ergosta-7,22-dien-3beta,5alpha-dihydroxy-6beta-yl oleate","PC(O-24:0/20:4(8Z,11Z,14Z,17Z))","11-phenyl-7E-undecenoic acid","Kushenol Q","Cer(d20:0/24:0)","OOB-PE","Dihomo-gamma-linolenoyl dopamine","TG(14:1(9Z)/14:1(9Z)/17:2(9Z,12Z))[iso3]","3-carboxy-4-methyl-5-pentyl-2-furanpropanoic acid","TG(12:0/15:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]","CL(1'-[16:0/18:0],3'-[18:1(9Z)/20:0])","N-palmitoyl-D-sphingosyl-1-(2-aminoethyl)phosphonate","7-oxocholesterol(d7)","PA(P-16:0/22:4(7Z,10Z,13Z,16Z))","9Z-Pentatriacontene","PC(18:2(2E,4E)/0:0)","PC(P-18:1(9Z)/0:0)","3-hydroxy-tetradecanedioic acid","Myristoyl-EA","2S-hydroxy-3-(10Z-tetradecenoyloxy)-propanoic acid","DG(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]","DG(15:0/18:1(9Z)/0:0)[iso2]","TG(16:0/18:1(9Z)/22:1(13Z))[iso6]","16'-Hydroxytorulene","(2E,5Z,7E)-decatrienoylcarnitine","TG(15:0/18:1(9Z)/18:3(9Z,12Z,15Z))[iso6]","9Z-Tritriacontene","MGDG(18:0/18:2(9Z,12Z))","Isotedaniaxanthin","Docos-(4E,15Z)-dien-1-yn-3-one","PE(19:0/15:0)","Chondrillasterol","Exophilin A2","PC(16:0/3:1(2E))","DG(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)[iso2]","1-O-(2-methoxy-4-hexadecenyl)-sn-glycerol","11Z-Hexadecen-7,9-diynoic acid","PC(O-20:0/22:4(7Z,10Z,13Z,16Z))","PC(P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","PI(O-16:0/18:2(9Z,12Z))","Lauric acid","2R-methyl-bacteriohopanetetrol","PE(22:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","PI(O-20:0/14:0)","Lethedoside B","(24R)-24-fluoro-1alpha,25-dihydroxyvitamin D2","1-(8-[3]-ladderane-octanyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerophosphoethanolamine","Linoleamide","1-O-alpha-D-glucopyranosyl-(2-tetradecanoyloxy)-eicosan-1-ol","Exophilin B2","KH01-A","TG(18:0/20:1(11Z)/22:0)[iso6]","Gb3(d18:1/18:0)","24,25-epoxy-cholesterol","PA(21:0/0:0)","TG(14:0/16:0/18:0)[iso6]","Cer(m18:1(4E)/20:0)","Lycopersene","6-pentadecyl salicylic acid","Erythromycin ethylsuccinate","DG(19:0/0:0/19:0) (d5)","PC(O-18:0/22:1(11Z))","Panaxatriol","TG(17:1(9Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]","bacteriohopane-,32,33,34-triol-35-cyclitolguanine","Euchrenone b5","N-margaroyl taurine","PC(O-17:0/20:4(5Z,8Z,11Z,14Z))","GlcCer(d18:2(4E,8Z)/25:0(2OH[R]))","TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]","15S-HETE","PC(16:0/20:4(5E,8E,11E,14E))","22:2 Cholesterol ester","2-tetracosyl-3-hydroxy-heptatriaconta-16Z-enoic acid","PI-Cer(d18:0/24:0)","TG(20:1(11Z)/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso3]","24-hydroxy-10Z-tetracosenoic acid","Calopogoniumisoflavone A","PE(P-16:0/22:6(4Z,7Z,10Z,12E,16Z,19Z)(14OH))","TG(17:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:3(10Z,13Z,16Z))[iso6]","1alpha,25-dihydroxy-2beta-(4-hydroxybutoxy)vitamin D3","FMC-5(d18:1/18:0)","GlcCer(d18:1/14:0)","AC2SGL(18:0/28:0(2Me[S],4Me[S],6Me[S],8Me[R],10Me[R],12Me[R],13OH))","3Z,6Z,9Z-Docosatriene","Myristic acid","Cer(d18:2/24:0(2OH))","PE(P-18:0/20:4(5Z,8Z,11Z,13E)(15OH[S]))","DG(17:0/20:0/0:0)[iso2]","SM(d18:2/14:0)","PC(12:0/20:0)","Estradiol valerate","PE(O-18:0/20:2(11Z,14Z))","TG(15:0/18:0/22:0)[iso6]","10,13,16-Docosatrienoic acid","Artomunoxanthentrione","PC(O-16:0/20:0)","PC(22:0/22:4(7Z,10Z,13Z,16Z))","Delphinidin 3-(diferuloyl)sophoroside-5-glucoside","TG(18:1(9Z)/18:1(9Z)/18:2(9Z,12Z))[iso3]","10Z-Pentacosene","DG(18:2(9Z,12Z)/0:0/18:2(9Z,12Z)) (d5)","PC(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","12,13S-EOT","16Z-pentacosenoic acid","PG(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","Cer(d16:0/16:0)","(S)-(-)-N-(alpha-methylbenzyl)-linoleamide","Odyssic acid","testolactone","Cer(t18:0/25:0(2OH))","Kanzonol E","PC(O-20:0/20:3(8Z,11Z,14Z))","Chamuvaritin","6,8,10-Pentadecatriynoic acid","DG(19:0/20:2(11Z,14Z)/0:0)[iso2]","GlcCer(d18:1/26:0)","(+)-Gammacerane","TG(16:0/19:0/22:0)[iso6]","ibha#20","PA(19:1(9Z)/0:0)","gypsogenin","TG(18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))[iso3]","PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:0)","DG(13:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)[iso2]","CerPE(d15:1(4E)/20:0(2OH))","1-tetradecanyl-2-(8-[3]-ladderane-octanyl)-sn-glycerophosphocholine","Cholic acid","PI(12:0/0:0)","Cer(d18:1/23:0)","TG(18:1(9Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6]","TG(16:0/18:2(9Z,12Z)/21:0)[iso6]","PI(O-20:0/22:0)","PC(O-18:2(9Z,12Z)/18:2(9Z,12Z))","TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso3]","ibha#24","Cer(m18:0/22:0)","DG(16:0/0:0/16:0) (d5)","ibha#22","9,12,15-Octadecatrien-1-ol","(3'-sulfo)Galbeta-Cer(d18:1/24:0(2OH))","DG(18:2(9Z,12Z)/20:3(8Z,11Z,14Z)/0:0)[iso2]","TG(16:0/18:1(9Z)/18:2(9Z,12Z))[iso6]","Cucurbitacin A","DG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]","Crasseride 2a","Nor-peridinin1","N-(7-methyloctanoyl)homoserine lactone","19-hydroxy-nonadecanoic acid","Cucurbitacin S","PHDdiA-PI","PA(16:1(9Z)/22:2(13Z,16Z))","O-tetradecanoylcarnitine","Ieodomycin A","TG(18:2(9Z,12Z)/20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]","Fuconic acid","PC(22:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","(Z)-3-(pentadec-8-en-1-yl)phenol","Pentadecylic acid","TG(16:0/20:1(11Z)/22:4(7Z,10Z,13Z,16Z))[iso6]","PON-PC","22:5 Cholesterol ester","(13Z,16Z)-docosadienoylcarnitine","PS(22:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","Physagulin K","N-jasmonoyl-isoleucine","Plakoside B","Fludrocortisone acetate","Plakoside A","PA(O-16:0/18:4(6Z,9Z,12Z,15Z))","5-n-pentacosylresorcinol","Androsterone","TG(19:0/22:1(13Z)/22:3(10Z,13Z,16Z))[iso6]","PC(15:0/0:0)","TG(21:0/22:3(10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6]","PS(14:1(9Z)/14:1(9Z))","PA(12:0/16:1(9Z))","(6RS)-22-oxo-23,24,25,26,27-pentanorvitamin D3 6,19-sulfur dioxide adduct","CL(1'-[16:0/20:0],3'-[20:0/20:4(5Z,8Z,11Z,14Z)])","PS(O-20:0/20:3(8Z,11Z,14Z))","PC(17:0/20:4(5Z,8Z,11Z,14Z))","PHODA-PA","PA(O-16:0/17:1(9Z))","DG(20:3(8Z,11Z,14Z)/22:3(10Z,13Z,16Z)/0:0)[iso2]","PGF2alpha methyl ether","TG(21:0/22:3(10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]","PHODA-PC","Glc-GP(18:0/20:0)","PC(12:0/12:0)","TG(16:0/21:0/22:0)[iso6]","7-oxo-cholesterol","TG(15:1(9Z)/17:0/18:0)[iso6]","Triangulyne G","Triangulyne H","TG(17:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]","N-oleoyl GABA","octadec-11Z-enol","DG(13:0/13:0/0:0)","TG(18:2(9Z,12Z)/20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6]","Isobungeanool","Triangulyne A","PC(O-16:0/9:0(COOH))","1-(2-methoxy-6Z-heptadecenyl)-sn-glycero-3-phosphoethanolamine","1-dimethylarsinoyl-(3Z,6Z,9Z,12Z,15Z,18Z)-docosahexaene","DG(18:3(6Z,9Z,12Z)/16:0/0:0)[iso2]","LacCer(d18:1/22:0)","chlorovulone I","TG(18:0/18:1(9Z)/19:0)[iso6]","N-(3-hydroxy-eicosanoyl)-homoserine lactone","Cer(d18:2/23:0)","PI(20:4(5Z,8Z,11Z,14Z)/0:0)","TG(18:1(9Z)/18:2(9Z,12Z)/22:0)[iso6]","TG(17:1(9Z)/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))[iso6]","Fucoxanthinol 3-arachidonate","Methyl jasmonate","TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]","PC(20:3(8Z,11Z,14Z)/19:1(9Z))","AC2SGL(18:0/28:0(2Me[S],4Me[S],6Me[S],8Me[R],10Me[R],11OH))","(3'-sulfo)Galbeta-Cer(d18:1/16:0(2OH))","PS(O-16:0/17:0)","SM(d18:0/22:0)","PE(O-16:0/17:2(9Z,12Z))","PC(18:1(11Z)/0:0)","CerPE(d14:1(4E)/24:1(15Z))","12R,13S-epoxy-9S-hydroxy-10E-octadecenoic acid","Tarenninoside A","SM(d18:1/22:0)","SM(d18:2/22:1)","(25S)-24S,26-cyclo-5alpha-cholestan-3beta-ol","PC(18:4(9E,11E,13E,15E)/18:4(9E,11E,13E,15E))","TG(15:1(9Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))[iso6]","Kaempferol 3-apioside-7-rhamnosyl-(1->6)-(2''-(E)-caffeoylglactoside)","Pomiferin","Pantheric Acid A","alpha-N-(3-(11,12-methylene)-octadecanoyloxy-octadecanoyl)-L-ornithine","TG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))","3Z,6Z,9Z,11E-Nonadecatetraene","PS(17:0/19:0)","7-dehydrocholesterol-d7","(+)-Mayurone","4,6,11-hexadecatrienal","1-(14-methyl-pentadecanyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol","TG(17:1(9Z)/20:2(11Z,14Z)/22:0)[iso6]","Cer(d18:0/23:0)","Cer(m18:1(4E)/24:1(15Z))","PE(P-18:0/20:4(5Z,8Z,11Z,14Z))","19-oxo-eicosanoic acid","Tricosylic acid","2,22,25-trideoxyecdysone","Hydroxychlorobactene glucoside hexadecanoate","GlcCer(d18:1(8Z)/16:0(2OH[R]))","PG(20:5(5Z,8Z,11Z,14Z,17Z)/18:0)","TG(17:2(9Z,12Z)/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso6]","ibha#16","Dichamanetin","TG(16:0/18:1(9Z)/20:3(8Z,11Z,14Z))[iso6]","Caloxanthin","N-palmitoyl threonine","DG(16:0/16:0/0:0)[rac]","1-O-lignoceroyl-Cer(d18:1/18:0)","DG(16:0/18:2(9Z,12Z)/0:0)[iso2]","FAHFA(16:0/5-O-18:0)","PC(O-16:0/16:0)","2-hydroxy-10-undecenoic acid","7-O-acetyl-6-epi-19,20-epoxycytochalasin P","Xestoaminol B","6-[1]-ladderane hexanol","GlcCer(d15:1/18:0)","12-Oxo-20-trihydroxy-leukotriene B4","3-hydroxypalmitic acid methyl ester","Cer(t18:0/22:0)","Sitostanyl-18:0","Cer(t18:1(6OH)/23:0(2OH))","2-carboxy-2-amino-3-O-(13'-methyltetradecanoyl)-4-hydroxy-17-methyloctadec-5-ene-1-sulfonic acid","N'-5Z,8Z,11Z,14Z-eicosatetraenoyl-N''-diethyl-ethylenediamine","10-fluoro-capric acid","1-(2-methoxy-tetradecanyl)-sn-glycero-3-phosphoethanolamine","cis-erucic acid","PI(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","DG(20:0/21:0/0:0)[iso2]","PA(12:0/22:4(7Z,10Z,13Z,16Z))","PI-Cer(d18:0/16:0)","PE(P-16:0/18:2(9Z,12Z))","Castasterone","rac-Tetracos-(4E,15Z)-dien-1-yn-3-ol","DG(15:1(9Z)/21:0/0:0)[iso2]","Sphinganine-1-phosphocholine","omega-linoleoyloxy-Cer(t17:1(6OH)/28:0)","17-phenyl-trinor-PGE2","Chrysogeside B","PC(O-20:0/22:1(11Z))","13-amino-tridecanoic acid","Linoleyl myristoleate","TG(18:1(9Z)/20:2(11Z,14Z)/22:4(7Z,10Z,13Z,16Z))[iso6]","DG(18:1(9Z)/22:1(13Z)/0:0)[iso2]","PE(15:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","DG(20:0/0:0/20:0) (d5)","(9Z,12Z,15Z)-3-hydroxyoctadecatrienoylcarnitine","TG(16:0/19:1(9Z)/20:0)[iso6]","2-hydroxy-pentadecanoic acid","PC(22:4(7Z,10Z,13Z,16Z)/0:0)","PC(O-18:0/20:3(8Z,11Z,14Z))","Squamocin-V","(25S)-5alpha-cholestan-3beta,6alpha,7beta,8beta,15alpha,16beta,26-heptol","TG(17:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6]","TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:3(10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]","16:1-Glc-Campesterol","PG(18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z))","3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol","PE(O-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","PG(12:0/18:4(6Z,9Z,12Z,15Z))","6-Hydroxydelphinidin 3-(6-malonylglucoside)","2-docosyl-3-hydroxy-34-carboxy-tetratriacontanoic acid","Fucalpha2-3GlcNAcbeta1-6GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z))","PKODA-PC","Solacaproine","Oleamide","PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","Dioscin","PG(18:3(6Z,9Z,12Z)/13:0)","PA(17:0/21:0)","TG(15:0/18:0/19:1(9Z))[iso6]","MG(16:0/0:0/0:0)[rac]","Am-PE(O-18:0/18:2(9Z,12Z))","2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E-tetracosaundecaenal","PA(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","TG(18:1(9Z)/18:2(9Z,12Z)/21:0)[iso6]","Myxol 2'-dimethyl fucoside","PI(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","PS(18:2(9Z,12Z)/22:2(13Z,16Z))","Tephcalostan B","Renieroside A1","Renieroside A3","Renieroside A2","TG(22:0/22:0/22:1(13Z))[iso3]","5-hydroperoxy-7-[3,5-epidioxy-2-(2-octenyl)-cyclopentyl]-6-heptenoic acid","TG(15:1(9Z)/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))[iso3]","2-(8-[3]-ladderane-octanyl)-sn-glycerol","PG(20:0/12:0)","PG(O-16:0/21:0)","Sphing-6E-enine 4R-sufate","Stigmasteryl glucoside","PI(O-18:0/15:0)","(17Z)-1alpha,25-dihydroxy-26,27-dimethyl-17,20,22,22,23,23-hexadehydrovitamin D3","Kurilensoside H","Penicildione D","Cer(d18:0/25:0)","TG(17:1(9Z)/20:2(11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso6]","Lauryl linolenate","Flavicerebroside B","LacCer(d18:0/20:0)","TG(16:1(9Z)/19:0/22:2(13Z,16Z))[iso6]","TG(20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:3(10Z,13Z,16Z))[iso6]","PS(17:2(9Z,12Z)/22:1(11Z))","PG(18:1(9Z)/12:0)","4alpha,24beta-Dimethyl-5alpha-cholest-22-en-3beta-4beta-diol","TG(18:0/18:1(9Z)/18:2(9Z,12Z))[iso6]","20:1 Campesterol ester","PE(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","PC(O-16:1(9Z)/20:0)","PS(18:4(6Z,9Z,12Z,15Z)/21:0)","19'-Hydroxyfucoxanthinol","TG(15:0/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))[iso6]","PC(O-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","TG(19:1(9Z)/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]","TG(15:1(9Z)/17:1(9Z)/17:2(9Z,12Z))[iso6]","DG(14:0/18:3(9Z,12Z,15Z)/0:0)[iso2]","Isozeaxanthin","PS(19:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","PA(0:0/18:0)","PC(16:0/5:1(4E))","Dolichyl-19 phosphate","6'-Hydroxysiphonaxanthin decenoate","9,10,13-trihydroxy-Octadecanoic acid","Plastochromanol-8","2',4'-Dihydroxydihydrochalcone","Wuhanic acid","Cer(d18:1/20:0)","12-cys-9-nitro-octadecenoic acid","DG(12:0/12:0/0:0)[iso2]","Cer(d18:2(4E,8Z)/20:0(2OH[R]))","Ethyl-(5R,12S)-diacetoxy-(6E,8E,10E,14Z)-eicosatetraenoate","gibberellin A2","20Z-heptacosenoic acid","N-(15-methyl-hexadecanoyl) glycine","Norselic acid A","Glycolithocholic Acid","PG(O-16:0/20:5(5Z,8Z,11Z,14Z,17Z))","PC(20:4(5Z,8Z,11Z,14Z)/0:0)","zymosteryl palmitoleate","PE(O-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","Theonellasterol G","29-Oxotriacontanoic acid","N-stearoyl GABA","DG(16:1(9Z)/0:0/16:1(9Z)) (d5)","MGDG(18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))","1-(8-[3]-ladderane-octanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phospho-(1'-sn-glycerol)","Hexacosanedioic acid","1-O-stearoyl-Cer(d18:1/18:0)","OKDdiA-PC","LacCer(d18:1/18:0)","22:6 Cholesterol ester","PC(16:0/22:6(4E,7E,10E,13E,16E,19E))","3-(3-methylfuran-2,5-diyl)-dipropionic acid","TG(13:0/18:1(9Z)/18:4(6Z,9Z,12Z,15Z))[iso6]","11-methyl-2Z-dodecenoic acid","Osirisyne F","TG(20:0/20:4(5Z,8Z,11Z,14Z)/22:3(10Z,13Z,16Z))[iso6]","MG(12:0/0:0/0:0)","DAT(16:0/23:0(2Me[S],4Me[S]))","PA(19:1(9Z)/22:2(13Z,16Z))","4Z,7Z,10Z-octadecatrienenitrile","10-Deoxymethymycin","(+)-24-Dammarene-3beta-20S-diol","TG(17:0/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6]","2-eicosyl-3-hydroxy-30-carboxy-triacontanoic acid","omega-linoleoyloxy-Cer(t18:0/30:0)","abrusoside A","PG(17:0/22:1(11Z))","PS(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","PI(O-18:0/17:2(9Z,12Z))","1alpha,25-dihydroxy-2beta-(6-hydroxyhexyl)vitamin D3","Rhodoquinone-9","Cer(d15:1/24:0)","2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phosphoethanolamine","Gancaonin A","Stigmastanyl glucoside","(Z,Z)-3,6-Dodecadien-1-ol","PC(18:0/20:2(11Z,14Z))","PA(P-16:0/20:3(8Z,11Z,14Z))","PG(19:1(9Z)/0:0)","24,24-Difluoro-1,25,26-trihydroxyvitamin D3","Glucosyl sphingosine","PC(18:0/20:4(5Z,8Z,10E,14Z)(12OH[S]))","Dendrogenin A","Formononetin 7-O-(2''-p-hydroxybenzoylglucoside)","Retinol","jasmolin II","PE(O-16:0/0:0)","PI-Cer(t18:0/20:0(2OH))","11-acetoxy-3beta,6alpha-dihydroxy-9,11-seco-5alpha-cholest-7-en-9-one.","PC(16:1(9E)/0:0)","Methyl hydroxy-3,4-dehydro-apo-8'-lycopenoate","Docosanamide","(2E)-octenoylcarnitine","PIM1(17:0/16:2(9Z,12Z))","GlcCer(d18:1/24:1(15Z))","Cer(d18:1/27:0)","PI-Cer(t18:0/26:0(2OH))","NAPE(16:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)","SM(d18:0/16:0)","N-tetradecanoyl-homoserine lactone","Cer(t18:0/23:0(2OH))","PG(17:1(9Z)/18:4(6Z,9Z,12Z,15Z))","Protopanaxadiol","20:3 Stigmasterol ester","17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide)","DG(16:1(9Z)/18:1(9Z)/0:0)[iso2]","TG(13:0/14:1(9Z)/17:2(9Z,12Z))[iso6]","TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:0)[iso6]","PI(16:0/18:1(9Z))","Cer(m18:0/26:0)","PA(O-16:0/20:1(11Z))","PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z))","11Z-eicosen-1-ol","Diabolic acid","PS(18:3(6Z,9Z,12Z)/20:0)","TG(16:0/20:2(11Z,14Z)/21:0)[iso6]","Brassicasteryl-18:0","4-Oxomytiloxanthin","PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","PI(18:0/18:3(6Z,9Z,12Z))","Fucoxanthinol 3-linoleate","SM(d17:1/26:1)","omega-linoleoyloxy-Cer(t20:0/32:0)","Dorsmanin F","Hyrtiosterol","Kaempferol 3-neohesperidoside-7-(2''-p-coumaryllaminaribioside)","Nonadecandioic acid","PI(15:0/22:2(13Z,16Z))","TG(20:1(11Z)/22:3(10Z,13Z,16Z)/22:3(10Z,13Z,16Z))[iso3]","PI(18:2(9Z,12Z)/18:0)","1,2-(8R,9R-epoxy-octadec-13Z,15Z-dien-4,6-diynoyl)-sn-glycerol","DG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/0:0)[iso2]","1alpha-fluoro-25-hydrovitamin D3","Cer(d18:0/17:0)","PE(18:0/18:1(9Z))","PA(O-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","10,11-Epoxy-7Z-hexadecenoic acid","PA(O-20:0/17:2(9Z,12Z))","2-eicosyl-3-hydroxy-34-carboxy-tetratriacontanoic acid","AC2SGL(16:0/28:0(2Me[S],4Me[S],6Me[S],8Me[R],10Me[R],12Me[R],13OH))","MGTS(14:0/0:0)","TG(18:0/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))[iso6]","TG(13:0/16:0/19:1(9Z))[iso6]","Cer(d18:0/25:0(2OH))","CL(1'-[18:0/20:0],3'-[18:1(9Z)/18:2(9Z,12Z)])","2-methyl-32,35-anhydrobacteriohopanetetrol","3',4'-Epoxymonoanhydrobacterioruberin","14R,17R,18R-trihydroxy-5Z,8Z,11Z,15E-eicosatetraenoic acid","PC(24:1(15Z)/0:0)","TG(16:0/16:1(9Z)/18:2(9Z,12Z))[iso6]","Epothilone A","Linoleyl stearate","PG(18:3(9Z,12Z,15Z)/14:0)","Coenzyme Q9","Myxoquinone-843","Coenzyme Q8","TG(17:1(9Z)/18:1(9Z)/18:2(9Z,12Z))[iso6]","1-O-(6'-(N-methylphosphoethanolaminyl)-beta-D-glucopyranosyl)-(N-(2R-hydroxy-docosanoyl)-4R-hydroxy-16-methyl-hexadecasphinganine)","PC(P-17:0/0:0)","3-O-(4-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)-3beta,14beta,16beta-trihydroxy-19-oxo-5alpha-bufa-20,22-dienolide","TG(12:0/14:0/16:0)[iso6]","Cer(d18:2/27:0(2OH))","TG(16:0/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))[iso6]","TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:3(10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))[iso6]","Myristoleic acid","SM(d18:1/18:1(9Z))","TG(18:0/18:1(9Z)/19:1(9Z))[iso6]","PA(P-20:0/14:0)","MG(20:0/0:0/0:0)[rac]","PA(13:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","TG(17:1(9Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))[iso6]","TG(17:0/18:0/18:1(9Z))[iso6]","SM(d16:1/24:1)","Ulexone B","PC(O-18:1(9Z)/2:0)","TMC-1A","PC(19:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","Arachidyl linoleate","DG(18:4(6Z,9Z,12Z,15Z)/16:0/0:0)[iso2]","Cer(d18:0/22:0)","TG(18:1(9Z)/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))[iso6]","DG(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]","TG(12:0/16:0/17:2(9Z,12Z))[iso6]","18-hydroxy-9R,10S-epoxy-stearic acid","PG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","Withaferin A","PC(16:0/16:1(9Z))","TG(21:0/22:1(13Z)/22:1(13Z))[iso3]","Gb3(d18:1/24:1(15Z))","PC(O-16:0/20:3(8Z,11Z,14Z))","TG(19:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso6]","9-hexacosenoic acid","DG(18:0/0:0/18:0) (d5)","Annosquatin B","SM(d18:1/16:0(2OH))","PA(P-16:0/16:1(9Z))","DG(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2]","3-Hexaprenyl-4,5-dihydroxybenzoic acid","Tetratriaconta-25Z,28Z,31Z-trienoic acid","19-norcholestenone","Butyl 4'-O-butanoyl-6-O-hexadecanoyl-neohesperidoside","1-(3-methylpentadecyl)-3-nonylcyclopentane","15-dimethylarsinoyl pentadecanoic acid","TG(21:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso3]","DG(20:2(11Z,14Z)/20:2(11Z,14Z)/0:0)","TG(18:0/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))[iso6]","PI(O-16:0/13:0)","PA(20:1(11Z)/0:0)","Dokdolipid B","3-methyl-tetradecanedioic acid","SM(d18:1/18:0)","Behenic acid","N-(2R-hydroxy-heptadecanoyl)-1-beta-D-glucosyl-9-methyl-sphing-4E,8E,10E-trienine","Pubescenol","Cyanidin 3-(6''-ferulyl-2'''-sinapylsophoroside)-5-glucoside","Am-PE(18:0/20:3(8Z,11Z,14Z))","Dihomocholic acid","TG(20:3(8Z,11Z,14Z)/22:0/22:1(13Z))[iso6]","PG(16:0/20:4(5Z,8Z,11Z,14Z))","PG(O-16:0/22:1(11Z))","DG(17:1(9Z)/18:2(9Z,12Z)/0:0)[iso2]","PI(21:0/22:2(13Z,16Z))","PI-Cer(t18:0/16:0)","Matteucinol 7-O-beta-D-apiofuranosyl(1->6)-beta-D-glucopyranoside","PHOOA-PC","podocarpic acid","Amorphigenin O-glucoside","DG(20:3(8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2]","TG(17:1(9Z)/22:1(13Z)/22:3(10Z,13Z,16Z))[iso6]","20:2(5Z,9Z)(11Me,15Me,19Me)","1,2-dioctadecanoyl-3-O-(6-deoxy-6-amino-alpha-D-glucosyl)-sn-glycerol","DG(18:4(6Z,9Z,12Z,15Z)/18:0/0:0)[iso2]","PS(O-20:0/22:0)","TG(22:1(13Z)/22:3(10Z,13Z,16Z)/22:3(10Z,13Z,16Z))[iso3]","TG(20:0/22:0/22:1(13Z))[iso6]","FAHFA(15:0/6-O-18:0)","TG(15:0/18:0/19:0)[iso6]","8Z,11Z,14Z-heptadecatrienal","Butyryl-CoA","1(3)-glyceryl-6-keto-PGF1alpha","5-(1-hydroxybutan-2-yl)isolongifol-5-ene","3,4-dimethyl-5-carboxyethylene-2-furanpentanoic acid","1-oleyl glycerone-3-phosphate","TG(18:1(9Z)/21:0/22:2(13Z,16Z))[iso6]","II-dihydro-omega-(2,6,6-trimethylcyclohex-2-enylmethyl)2,3-epoxymenaquinone-6","PG(O-20:0/20:3(8Z,11Z,14Z))","TG(20:0/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]","TG(12:0/14:0/18:2(9Z,12Z))[iso6]","TG(16:0/17:1(9Z)/18:1(9Z))[iso6]","12alpha-Hydroxycholest-4-en-3-one","1-O-(2R-methoxy-4Z-eicosenyl)-sn-glycerol","PE(16:0/18:2(9Z,12Z))","GM4(d18:1/26:0)","Heneicosylic acid","24-methylene-cholestan-3beta-ol","Palmitoyl-EA(d4)","Acetyl-CoA","Melonoside A","Cer(m18:0/18:0)","PS(P-20:0/18:0)","PC(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)","TG(12:0/14:0/15:0)[iso6]","(23R)-3alpha,7alpha,12alpha,23-Tetrahydroxy-5beta-cholan-24-oic Acid","PC(O-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","OON-PC","6-O-Myristoylsucrose","PC(O-18:0/22:4(7Z,10Z,13Z,16Z))","PA(O-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","Cer(d18:2/22:0)","PE(18:0/20:0)","Emmotin A","Cer(m18:1(4E)/16:0)","TG(16:0/18:0/19:0)[iso6]","PC(15:0/18:0)","PE(18:1(9Z)/0:0)","Avermectin A2a","PE(20:3(8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))","TG(18:1(9Z)/19:1(9Z)/22:1(11Z))[iso6]","Valtratum","DG(21:0/21:0/0:0)","DGTS(14:0/14:0)","3-Hydroxyisorenieratene","TG(18:2(9Z,12Z)/19:1(9Z)/22:1(11Z))[iso6]","PG(P-18:0/16:1(9Z))","2-Hexenoylcholine","DG(18:0/18:2(9Z,12Z)/0:0)[iso2]","TG(17:2(9Z,12Z)/18:0/18:0)[iso3]","PG(13:0/18:4(6Z,9Z,12Z,15Z))","Tetradecan-7,9-diynoic acid","alpha-GlcADAG(18:1/16:0)","PI-Cer(d20:0/26:0(2OH))","DG(16:1(9Z)/18:3(9Z,12Z,15Z)/0:0)[iso2]","PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))","PI(18:0/22:1(11Z))","TG(12:0/16:1(9Z)/18:2(9Z,12Z))[iso6]","lanosteryl palmitoleate","SM(d18:2/21:0)","17:0 Cholesterol ester","TG(16:0/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso6]","PC(O-24:0/18:3(9Z,12Z,15Z))","PA(18:1(9Z)/0:0)","5,2',4',5'-Tetrahydroxy-3-(3-hydroxy-3-methylbutyl)-6'',6''-dimethylpyrano[2'',3'':7,8]flavone","Ginsenoyne C","26,27-diethyl-1alpha,25-dihydroxy-22-thiavitamin D3","Montbretin B","PI(O-18:0/20:0)","Macamide","PC(O-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","DG(14:0/18:2(9Z,12Z)/0:0)[iso2]","5alpha-cholest-22E-en-3beta-ol","Dotriaconta-23Z,26Z,29Z-trienoic acid","2-Methyl-7Z,9E-octadecadiene","PC(14:0/18:3(9Z,12Z,15Z))","Cer(d18:1/24:0)","PA(P-16:0/13:0)","1,2-dihydrostilbene","TG(18:1(9Z)/22:1(13Z)/22:1(13Z))[iso3]","PE(22:4(7Z,10Z,13Z,16Z)/0:0)","4,8,12,15,19,21-tetracosahexaenoic acid","TG(19:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:3(10Z,13Z,16Z))[iso6]","Japanic acid","Anhydroprasinoxanthin","PIM1(16:0/16:1(9Z))","Campherene-2,13-diol","PC(22:5(4Z,7Z,10Z,13Z,16Z)/0:0)","Scyphostatin A","Axillarenic acid","TG(16:0/16:0/18:1(9Z))","TG(17:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z))[iso3]","Cer(d18:0/18:1(9Z))","PA(O-18:0/18:3(6Z,9Z,12Z))","omega-linoleoyloxy-Cer(t22:0/31:0)","PG(P-18:0/20:4(5Z,8Z,11Z,14Z))","CerPE(d16:2(4E,6E)/24:1(15Z)(2OH))","TG(18:2(9Z,12Z)/22:1(13Z)/22:1(13Z))[iso3]","3,12-Dioxochola-1,4,9(11)-trien-24-oic Acid","N-(2R-hydroxy-hexadecanoyl)-1-beta-glucosyl-9-methyl-sphing-4E,8E-dienine","PC(18:2(9Z,12Z)/22:2(13Z,16Z))","MIPC(d18:0/22:0)","PI(18:0/18:1(9Z))","DG(20:1(11Z)/22:0/0:0)[iso2]","Campestanyl-16:0","PS(14:1(9Z)/18:2(9Z,12Z))","PS(22:4(7Z,10Z,13Z,16Z)/21:0)","34:4(19Z,22Z,25Z,28Z)","6,8-Diprenylnaringenin","PE(20:0/22:2(13Z,16Z))","TG(17:1(9Z)/20:3(8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso6]","TG(20:0/20:0/21:0)[iso3]","6alpha-Hydroxycastasterone","GlcCer(d18:1/23:0)","TG(17:2(9Z,12Z)/20:2(11Z,14Z)/22:1(13Z))[iso6]","PE(0:0/20:4(8Z,11Z,14Z,17Z))","TG(16:1(9Z)/18:0/20:4(5Z,8Z,11Z,14Z))[iso6]","CL(1'-[16:0/16:0],3'-[18:1(9Z)/20:0])","Dolichol-17","3-oxo-dodecanoic acid","1-O-[(6'-O-hexadecanoyl)-a-D-glucopyranosyl]-(2-hexadecanoyloxy)-eicosan-1-ol","Hydnocarpic acid","DG(22:0/22:1(13Z)/0:0)[iso2]","3-O-beta-tridecanoyllupan-3-ol","TG(20:1(11Z)/21:0/22:0)[iso6]","18:3 Stigmasterol ester","TG(15:0/17:0/17:1(9Z))[iso6]","PA(15:0/18:3(6Z,9Z,12Z))","PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/21:0)","2-Tritriacontanone","lithocholic acid sulfate","9-dimethylarsinoyl-nonanoic acid","3Z,6Z,9Z-Tricosatriene","TG(12:0/16:0/18:2(9Z,12Z))[iso6]","TG(18:1(9Z)/19:0/20:3(8Z,11Z,14Z))[iso6]","Isorhamnetin 3-rhamnosyl-(1->6)-[rhamnosyl-(1->2)-(3'''-(E)-p-coumaroylgalactoside]-7-rhamnoside","16:0 Sitosterol ester","3alpha,7alpha,12alpha-trihydroxy-5alpha-cholan-24-yl sulfate","TG(18:2(9Z,12Z)/19:1(9Z)/20:1(11Z))[iso6]","TG(18:0/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]","PC(19:0/18:1(9Z))","(21-Methyl-8Z-pentatriacontene","Avermectin A1a","3-demethylubiquinone-9","Tuberoside","Juniperic acid","Avermectin A1b","3,6,9-Heptacosatriene","6-[3]-ladderane-1-hexanol","Cer(d18:1/18:1(9Z))","cis-9,19-epoxy-3Z,6Z-heptadecadiene","Cer(d18:1/34:0(34OH))","Penaresidin B","Epi-cholestanol","N-(2E-dodecenoyl)-homoserine lactone","GlcCer(t16:0(14Me)/22:0(2OH[R]))","21-Methylhentriacontan-7-one","omega-linoleoyloxy-Cer(t21:0/28:0)","DG(22:0/22:0/0:0)","Squamostatin D","13-Methyl-1-hentriacontene","4,4-dimethyl-5alpha-cholest-7-en-3beta-ol","DG(20:1(11Z)/21:0/0:0)[iso2]","18:1 Campesterol ester","PI(O-16:0/18:1(9Z))","Cer(t18:0/19:0(2OH))","PA(18:3(6Z,9Z,12Z)/21:0)","Psi-bufarenogin L-lactate","7,8-Didehydroisorenieratene","Melonosin A","(3R)-3-isopropenyl-6-oxoheptanoic acid","PE(19:0/20:4(5Z,8Z,11Z,14Z))","Cyanidin 3-O-[2-O-(6-O-(trans-3-O-(beta-D-glucopyranosyl)caffeyl)-beta-D-glucopyranosyl)-6-O-(trans-caffeyl)-beta-D-glucopyranoside]-5-O-[beta-D-glucopyranoside]","7S,8S-DiHOTrE","PC(P-16:0/19:1(9Z))","PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))","PA(O-20:0/0:0)","16-heptadecenoic acid","12,13-dihydroxy-11-methoxy-9-octadecenoic acid","2-Methylbutyroylcarnitine","TG(14:0/16:0/16:0)[iso3]","1,2-tricosanediol","8,9,16-trihydroxy palmitic acid","Canangalia E","alpha-N-(3-(11,12-methylene)-octadecanoyloxy-hexadecanoyl)-L-ornithine","Cyanidin 3-(6''-sinapylsophoroside)-5-glucoside","18-carboxy-19,20-dinor-N-acetyl-leukotriene E4","DG(16:0/20:1(11Z)/0:0)[iso2]","Fucoxanthinol 3-(5Z,8Z,11Z,14Z,17-eicosapentaenoate)","DG(17:0/18:1(9Z)/0:0)[iso2]","Gb3(d18:1/24:0)","Cer(d18:1/21:0)","SM(d16:1/17:0)","N-stearoyl tryptophan","Emeguisin A","PE(O-18:1(9Z)/0:0)","PC(15:0/16:0)","1,3-(8R,9R-epoxy-octadec-13Z,15Z-dien-4,6-diynoyl)-2-(13E-octadecen-9,11-diynoyl)-sn-glycerol","14,15-LTE4","PS(P-20:0/22:2(13Z,16Z))","DL-Acetylcarnitine","PC(O-18:0/22:5(4Z,7Z,10Z,13Z,16Z))","DG(21:0/22:3(10Z,13Z,16Z)/0:0)[iso2]","N-(3-oxo-dodecanoyl)-homoserine thiolactone","Am-PE(18:1(9Z)/18:1(9Z))","Methyl 7-oxo-11E-tetradecenoate","13'hydroxy-alpha-tocopherol","TG(18:0/20:0/22:0)[iso6]","Armochaetoglasin J","D-tagaturonic acid","PI-Cer(t18:0/24:0)","Phytyl 2-O-methyl-dimethylarsinoylribose","Shibic acid","Cer(d18:0/16:0)","N-butyl arachidonoyl amine","Vitamin D4","PE(16:0/20:4(5Z,8Z,11Z,14Z))","3Z,6Z,9Z,11E-Eicosatetraene","SM(d18:1/24:0)","DG(17:2(9Z,12Z)/18:2(9Z,12Z)/0:0)[iso2]","Cer(d18:2/32:0(32OH))","PC(18:2(9Z,12Z)/19:1(9Z))","Cytochalasin A","PS(O-18:0/13:0)","12E-Pentadecenyl acetate","Alepric acid","3,5,7,9,11-dodecapentaenoic acid","Squafosacin C","11alpha-(4-dimethylaminophenyl)-1alpha,25-dihydroxyvitamin D3 / 11alpha-(4-dimethylaminophenyl)-1alpha,25-dihydroxycholecalciferol","DG(18:1(9Z)/18:3(9Z,12Z,15Z)/0:0)[iso2]","PS(20:5(5Z,8Z,11Z,14Z,17Z)/21:0)","GM1(d18:1/18:0)","15-Hydroxy-9Z,15Z-octadecadienoic acid","TG(20:1(11Z)/22:1(13Z)/22:1(13Z))[iso3]","Synechoxanthin","Longicaudatin","PS(P-16:0/13:0)","TG(20:4(5Z,8Z,11Z,14Z)/22:3(10Z,13Z,16Z)/22:3(10Z,13Z,16Z))[iso3]","4'-Hydroxyechinenone","PC(15:0/18:3(9Z,12Z,15Z))","DG(22:3(10Z,13Z,16Z)/22:3(10Z,13Z,16Z)/0:0)","TG(16:0/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]","PA(17:0/22:2(13Z,16Z))","PC(20:4(5Z,8Z,11Z,14Z)/21:0)","1-O-(2R-hydroxy-4Z-pentadecenyl)-sn-glycerol","PA(O-20:0/19:1(9Z))","PA(14:1(9Z)/20:0)","TG(16:0/16:0/18:0)","bacteriohopane-,32,33,34-triol-35-(N-(9-cyclohexyl-nonanoyl))-glucosamine","PC(14:0/18:2(11Z,14Z))","cholest-5,24-dien-3beta-yl beta-D-glucopyranoside","SQMG(18:0/0:0)","DG(18:0/18:1(9Z)/0:0)[iso2]","O-(13-carboxytridecanoyl)carnitine","Testosterone cypionate","TG(18:1(9Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))[iso6]","PG(O-20:0/14:1(9Z))","TG(14:0/18:1(9Z)/18:3(6Z,9Z,12Z))[iso6]","TG(17:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))[iso3]","GlcCer(t20:1(11Z)/23:1(15E)(2OH[S],17OOH))","Cer(d18:2/25:0)","PC(20:0/0:0)","1-(6-[3]-ladderane-hexanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerophosphocholine","Dihomolinoleic acid","DG(17:0/18:0/0:0)[iso2]","PG(P-16:0/20:5(5Z,8Z,11Z,14Z,17Z))","17-hydroxy-linolenic acid","TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]","SM(d18:0/20:0)","Am-PE(16:0/20:3(8Z,11Z,14Z))","TG(18:1(9Z)/19:0/20:4(5Z,8Z,11Z,14Z))[iso6]","DG(20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)[iso2]","Cer(d16:0/22:0)","8,11-Eicosadiynoic acid","TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]","GlcCer(d14:1(4E)/24:1(15Z)(2OH))","PI(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)","TG(16:0/18:1(9Z)/19:1(9Z))[iso6]","TG(14:0/16:1(9Z)/17:2(9Z,12Z))[iso6]","8,12,16,19-docosatetraenoic acid","PA(18:0/14:1(9Z))","(2xi,6xi)-7-Methyl-3-methylene-1,2,6,7-octanetetrol","Neoannonin","5beta,6beta-epoxygorgostane-1alpha,3beta,11alpha,12beta-tetrol 12-acetate","PC(14:0/20:5(5Z,8Z,11Z,14Z,17Z))","EB 1213","Sorbitan laurate","nandrolone","Lupinisoflavone M","pregnan-21-ol","Ent-afzelechin-7-O-beta-D-glucopyranoside","GlcCer(d14:2(4E,6E)/18:0(2OH))","GlcCer(d15:1/22:0)","PE(0:0/22:5(4Z,7Z,10Z,13Z,16Z))","6,10-Dimethyl-5(E),9-undecadien-2-one","PA(P-16:0/15:1(9Z))","TG(22:0/22:1(13Z)/22:1(13Z))[iso3]","Nicansteroidin D","PC(17:1(10Z)/0:0)","TG(20:4(5Z,8Z,11Z,14Z)/22:0/22:1(13Z))[iso6]","4,7,10-hexadecatrienoic acid","1-O-(8R-hydroxy-8-methyl-3Z,9-decadienoyl)-beta-D-glucopyranose","35-aminobacteriohopane-32,33,34-triol","PA(O-18:0/14:0)","8-Prenylafzelechin 5-methyl ether","Loroxanthin decenoate","PC(15:0/18:2(9Z,12Z))","2-Norastaxanthin","GM3(d18:1/16:0)","Vitamin D3 butyrate","PS(20:4(5Z,8Z,11Z,14Z)/21:0)","TG(17:0/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]","4,4-dimethylcholesta-8,11,24-trienol","PC(18:0/20:5(5Z,8Z,11Z,14Z,17Z))","TG(16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]","TG(18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]","15-tetracosenal","20:2 Campesterol ester","Furanoid acid - F6","Ophidiacerebroside A","1-Octacosene","GlcCer(d16:1(4E)(15Me)/23:0(2OH)","Novaxenicin C","DG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)[iso2]","16:1-Glc-Stigmasterol","8-Heptadecenal","Margaric acid","DG(19:1(9Z)/18:2(9Z,12Z)/0:0)[iso2]","Heptacosanedioic acid","4'-Methoxychalcone","11-deoxy-11-methylene-PGD2","3,4,3',4'-Tetrahydrospirilloxanthin-20-al","24-dimethoxy-3beta,6beta,19alpha-trihydroxyurs-12-en-28-oic acid","DG(18:1(9Z)/22:4(7Z,10Z,13Z,16Z)/0:0)[iso2]","TG(16:0/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6]","Cinobufagin","Artocommunol CC","DG(14:0/14:0/0:0)","1-O-(2R-methoxy-4Z-docosenyl)-sn-glycerol","18:1-Glc-Sitosterol","PC(18:1(9Z)/22:4(7Z,10Z,13Z,16Z))","4E,6E,10Z-Hexadecatrien-1-ol","Cer(t18:1(6OH)/21:0(2OH))","TG(17:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))[iso6]","(25S)-5alpha-cholestan-3beta,4beta,6alpha,7alpha,8beta,15beta,16beta,26-octol","Cer(t18:0/23:0)","TG(12:0/16:1(9Z)/17:2(9Z,12Z))[iso6]","PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/17:2(9Z,12Z))","8Z-Heptadecene","6Z,9Z-Tricosadiene","N-palmitoyl glycine","TG(19:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]","3Z,6Z,9Z-Octadecatriene","TG(12:0/12:0/16:0)[iso3]","Quercetin 3-(6''-malonylglucoside)-7-glucoside","3,7-Dimethyl-2E,6E-decadien-1,10-dioic acid","1,4-cholestadienone","DG(18:1(9Z)/20:2(11Z,14Z)/0:0)[iso2]","TG(18:0/20:4(5Z,8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))[iso6]","SM(d18:1/16:0)","Sphinganine","TG(19:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:0)[iso6]","TG(12:0/12:0/18:2(9Z,12Z))[iso3]","Kaempferol 3-rhamnosyl-(1->2)-[glucosyl-(1->3)-(4'''-p-coumaroylrhamnosyl)-(1->6)-galactoside]","Cer(t18:1(6OH)/35:0(35OH))","TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:0)[iso6]","TG(16:0/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))[iso6]","Cer(d18:1/28:0)","Okanin 3'-glucoside","Capsorubin","7alpha,12alpha-Dihydroxy-5beta-cholestan-3-one","Punicic acid","Cyanidin 3-O-[2''-O-(2'''-O-(sinapoyl) xylosyl) 6''-O-(p-O-(glucosyl) p-coumaroyl) glucoside] 5-O-glucoside","Cer(d18:1/36:0(36OH))","TG(16:1(9Z)/18:0/18:2(9Z,12Z))[iso6]","Cer(t18:0/30:0(2OH))","PE(16:1(9Z)/0:0)","PI(18:2(9Z,12Z)/20:3(8Z,11Z,14Z))","Cer(d14:1/20:1)","PI-Cer(t18:0/20:0)","PC(14:1(9Z)/16:1(9Z))","Gallicynoic acid F","TG(13:0/14:1(9Z)/15:0)[iso6]","3-Methoxyleprotene","DG(18:1(9Z)/18:2(9Z,12Z)/0:0)[iso2]","PI(15:0/22:1(11Z))","PC(17:0/18:2(9Z,12Z))","TG(14:0/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))[iso6]","Patuletin 3-glucoside-7-sulfate","PE(P-18:0/18:1(9Z))","selina-4(14),11-dien-7-ol","TG(20:1(11Z)/22:0/22:1(13Z))[iso6]","SM(d18:1/20:0)","DG(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]","N-(2R-hydroxy-octadecanoyl)-1-beta-D-glucosyl-9-methyl-sphing-4E,8E,10E-trienine","SM(d18:2/24:1)","LacCer(d18:0/16:0)","TG(18:1(9Z)/18:2(9Z,12Z)/18:4(6Z,9Z,12Z,15Z))[iso6]","Coenzyme Q10","PG(20:1(11Z)/22:1(11Z))","1,2-(13-methyl-tetradecanyl)-sn-glycerol","6Z,9Z-Eicosadien-11-ol","DG(16:0/16:1(9Z)/0:0)[iso2]","DG(18:0/22:0/0:0)[iso2]","GlcCer(d18:1/24:0)","TG(13:0/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso6]","24,24-difluoro-1alpha,25-dihydroxy-24a-homovitamin D3","DAT(19:0/24:0(2Me[S],4Me[S]))","PG(O-18:0/21:0)","TG(17:2(9Z,12Z)/22:0/22:0)[iso3]","N-(2'-(4-benzenesulfonamide)-ethyl) arachidonoyl amine","SM(d18:1/20:1)","PC(O-14:0/2:0)","PI(21:0/22:0)","3,6,9-Hexadecatriene","TG(17:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]","SM(d18:2/24:0)","11,14,15-trihydroxy-5Z,8Z,12E-eicosatrienoic acid","1-O-(2R-hydroxy-nonadecyl)-sn-glycerol","P-IsoPGE2-PC","PC(O-22:2(13Z,16Z)/22:3(10Z,13Z,16Z))","Kaempferol 3-rhamnoside-7-[6'''-ferulyglucosyl-(1->3)-rhamnoside]","Myrtillin","Dracocephalumoid D","DG(16:0/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2]","TG(13:0/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))[iso3]","PG(22:0/12:0)","Anthenoside A1","PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))","3Z,6Z-Heneicosadiene","1alpha,25-dihydroxy-2alpha-hydroxymethyl-19-norvitamin D3 / 1alpha,25-dihydroxy-2alpha-hydroxymethyl-19-norcholecalciferolcholecalciferol","phyllohydroquinone","Cer(m18:0/20:0)","Trisanhydrobacterioruberin","3beta,5alpha,9alpha-trihydroxycholesta-7,14-dien-6-one","DG(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]","GlcCer(d18:0/20:0)","Mayolene-15","Mayolene-14","PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))","(3R)-Docos-(15Z)-en-1-yn-3-ol","DG(20:0/20:3(8Z,11Z,14Z)/0:0)[iso2]","PA(O-18:0/17:0)","2,3-dinor, 6-keto-PGF1alpha","11Z-heptadecen-1-ol","Lup-20(29)-en-3beta-(3,6R-dihydroxybehenate)","PC(14:0/16:1(9Z))","N-(3-carboxypropanoyl)-N-hydroxycadaverine","TG(17:2(9Z,12Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]","16:0 Cholesterol ester","PE(20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z))","TG(13:0/15:0/17:1(9Z))[iso6]","2-decaprenyl-6-methoxy-1,4-benzoquinone","TG(12:0/15:0/16:0)[iso6]","2-Hydroxy-24-keto-octacosanolide","PE(P-20:0/18:2(9Z,12Z))","SM(d16:1/25:0)","TG(18:1(9Z)/21:0/22:1(13Z))[iso6]","Cholesteryl 11-hydroperoxy-eicosatetraenoate","8E-Heneicosene","PC(O-2:0/2:0)","DG(15:1(9Z)/19:0/0:0)[iso2]","Nonivamide","(-)-1(10),11-Eremophiladien-9beta-ol","DG(22:3(10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/0:0)[iso2]","PI(12:0/15:1(9Z))","PE(P-20:0/22:2(13Z,16Z))","MGDG(18:2(9Z,12Z)/18:2(9Z,12Z))","Phytosphingosine","PC(20:1(11Z)/22:2(13Z,16Z))","PS(18:2(9Z,12Z)/22:0)","DG(18:0/16:0/0:0)","PC(O-18:0/20:1(9Z))","OH-Chlorobactene glucoside laurate","TG(19:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]","1-(2-methoxy-octadecanyl)-sn-glycero-3-phosphoethanolamine","3-hydroxypropionyl-CoA","DG(18:0/20:3(8Z,11Z,14Z)/0:0)[iso2]","PC(O-18:0/20:5(5Z,8Z,11Z,14Z,17Z))","TG(18:0/18:1(9Z)/20:3(8Z,11Z,14Z))[iso6]","TG(18:3(9Z,12Z,15Z)/20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]","TG(18:0/22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]","PC(18:3(6Z,9Z,12Z)/0:0)","CerP(d18:1/16:0)","Crasseride 1","Cer(d20:0/22:0)","PG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","Cer(d18:1/25:0)","PC(19:1(9Z)/0:0)","DG(16:0/22:0/0:0)[iso2]","8S-HETrE","PS(P-18:0/0:0)","Ikarisoside F","LacCer(d18:1/20:0)","PG(6:0/6:0)","DG(12:0/16:1(9Z)/0:0)[iso2]","DG(12:0/17:2(9Z,12Z)/0:0)[iso2]","PI(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))","selina-4(14),7,11-trien-9-ol","5-Oxo-6-trans-leukotriene B4","PS(O-18:0/22:4(7Z,10Z,13Z,16Z))","1-O-(2-methoxy-hexadecyl)-sn-glycerol","2,2'-Diapocarotene-dial","TG(18:0/18:2(9Z,12Z)/20:1(11Z))[iso6]","MGDG(18:3(9Z,12Z,15Z)/16:1(9E))","17-methyl-6Z-octadecenoic acid","Arachidonyl alcohol","TG(13:0/16:0/17:1(9Z))[iso6]","PI(O-18:0/22:2(13Z,16Z))","Campestanyl-22:0","PC(16:0/18:3(6Z,9Z,12Z))","TG(14:0/16:1(9Z)/18:1(9Z))[iso6]","omega-linoleoyloxy-Cer(t21:1(6OH)/27:0)","3Z,6Z,9Z,12Z,15Z-Tricosapentaene","18Z-Heptacosen-10-one","PI(14:0/0:0)","TG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))[iso3]","6-O-Methylcerevisterol","15:0 Cholesterol ester","steviolbioside","CerPE(d14:2(4E,6E)/24:1(15Z))","TG(17:1(9Z)/22:3(10Z,13Z,16Z)/22:3(10Z,13Z,16Z))[iso3]","Deshydroxydecaprenoxanthin","N-(3-hydroxy-pentanoyl)-homoserine lactone","Fucoxanthinol 3-linolenate","PI(18:0/20:4(5Z,8Z,11Z,14Z))","PI(19:0/22:1(11Z))","Nonadecylic acid","3,5,7-Trimethyl-2E,4E,6E,8E-undecatetraene","TG(16:0/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]","1-tetradecanyl-2-(8-[3]-ladderane-octanyl)-sn-glycerol","17-hydroxy stearic acid","Aliarin","TG(12:0/14:0/18:1(9Z))[iso6]","LacCer(d18:1/24:0)","TG(19:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3]","p-coumaroyl-homoserine lactone","(9Z)-3-hydroxyoctadecenoylcarnitine","Hydroxypropionylcarnitine","TG(15:0/18:1(9Z)/18:2(9Z,12Z))[iso6]","PE(18:3(9Z,12Z,15Z)/22:2(13Z,16Z))","3-Acetoxystearic acid","PA(O-16:0/18:2(9Z,12Z))","PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:0)","PS(O-20:0/14:1(9Z))","1,2,3-(8R,9R-epoxy-17E-octadecen-4,6-diynoyl)-sn-glycerol","N-lauroyl glycine","Obscuraminol A","PI-Cer(d16:0(15Me(3OH))/14:0(13Me(2OH))","(20S,24S)-24-ethylthornasterol","Cer(d18:2/26:0(2OH))","TG(13:0/15:1(9Z)/15:1(9Z))[iso3]","Bullatacinone","SM(d18:1/12:0)","O-butanoyl-carnitine","PG(O-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","Plastochromenol-8","25-Hydroxyvitamin D3-bromoacetate","20-hydroxy-eicosanoic acid","10S,14S-Dimethyl-1-octadecene","PC(O-16:0/16:1(9Z))","Botrydial","TG(18:1(9Z)/20:2(11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6]","30-(-2-(O-2-hydroxy-ethane)-3-hydroxy-propane)-hopane","octacosanal","2-propyl-9Z-octadecenoic Acid","13Z,16Z-docosadienoic acid","Gracilosulfate D","Isorenieratene","TG(16:0/16:1(9Z)/18:1(9Z))[iso6]","MGDG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z))","26,26,26,27,27,27-hexafluoro-25-hydroxy-23,23,24,24-tetradehydrovitamin D3","PC(O-16:0/0:0)","DG(17:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]","Cer(d18:1(4E)/24:0(2OH))","Certonardosterol I","Chlorobactane","Sabinic acid","DG(14:1(9Z)/18:0/0:0)[iso2]","TG(18:1(9Z)/22:0/22:1(13Z))[iso6]","14S-Methyl-1-octadecene","TG(18:1(9Z)/22:0/22:3(10Z,13Z,16Z))[iso6]","1,2,3-tricaprinoyl-glycerol","PG(18:0/18:3(9Z,12Z,15Z))","TG(12:0/13:0/20:5(5Z,8Z,11Z,14Z,17Z))[iso6]","PI(20:1(11Z)/20:4(5Z,8Z,11Z,14Z))","PE(18:0/18:0)","26:2(5Z,9Z)(25Me)","TG(22:3(10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]","Asprellic acid A","N-(2R-hydroxy-octadecanoyl)-1-beta-glucosyl-9-methyl-sphing-4E,8E-dienine","GlcCer(d18:2(4E,8Z)/22:0(2OH[R]))","7,8-Didehydroaaptopurpurin","Cortenuamide C","TG(19:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6]","PE(P-18:0/18:4(6Z,9Z,12Z,15Z))","(+)-Hirusten-12-oic acid","Cer(d18:1/33:0)","DG(18:1(9Z)/20:1(11Z)/0:0)[iso2]","PC(14:0/16:0)","N,N-dimethylsphingosine","Minabeolide-2","Gb3(d18:1/16:0)","PE(18:1(9Z)/18:4(6Z,9Z,12Z,15Z))","N-arachidonoyl tyrosine","PC(14:0/19:1(9Z))","PC(10:0/19:0)","Topostin B553","Beta-Cryptoxanthin oleate","Erucamide","Janohigenin 21-0","PE(O-20:0/22:4(7Z,10Z,13Z,16Z))","Kazinol E","PC 16:0/5:0;5oxo","omega-linoleoyloxy-Cer(t18:1(6OH)/28:0)","PC(P-20:0/22:4(7Z,10Z,13Z,16Z))","PC(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","PC(20:3(8Z,11Z,14Z)/17:0)","27-Oxooctacosanoic acid","Avermectin B1b","Ovalitenin A","DG(12:0/18:2(9Z,12Z)/0:0)[iso2]","TG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]","20:0 Campesterol ester","PS(19:1(9Z)/22:2(13Z,16Z))","PE(P-18:0/18:2(9Z,12Z))","Butyl 3-O-beta-D-glucopyranosyl-butanoate","Antiaroside G","Am-PE(16:0/18:1(9Z))","2E,6E-farnesol","TG(17:0/17:1(10Z)/17:0) (d5)","PC(16:0/18:2(10E,12Z))","PE(15:0/20:1(11Z))","Chaetoglobosin A","PC(O-18:0/18:2(9Z,12Z))","19-hydroxybufalin-3-(16-hydroxy-palmitate)","PC(O-18:0/20:2(11Z,14Z))","DG(13:0/18:3(9Z,12Z,15Z)/0:0)[iso2]","PC(O-16:0/17:0)","GlcCer(d18:1(8Z)/25:0(2OH[R]))","PC(P-16:0/16:1(9Z))","TG(16:0/18:2(9Z,12Z)/20:3(8Z,11Z,14Z))[iso6]","LacCer(d18:1/12:0)","Quercetin 3'-isobutyrate","GlcAbeta-Cer(d16:0/14:0)","DG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]"],"additional_accession":[]},"is_claimable":false,"name":"Plasma metabolomic and lipidomic signatures characteristic of treatment non-response in rheumatoid arthritis","description":"Objectives: This study aimed to investigate plasma metabolomic and lipidomic profiles in rheumatoid arthritis (RA) to identify potential biomarkers for distinguishing treatment responses.
Methods: Plasma samples were collected from 106 RA patients and 10 healthy controls, with 30 RA samples selected based on predefined inclusion criteria. Using liquid chromatography–mass spectrometry (LC-MS)-based untargeted metabolomics and lipidomics analysis, a total of 2,279 metabolites and 2,987 lipids were systematically identified.
Results: Through rigorous statistical evaluation (variable importance in the projection (VIP) > 1 and false discovery rate (FDR) < 0.05), 22 metabolites and lipids were found to be positively associated with RA risk based on logistic regression analysis. These were further refined into 12 core features using least absolute shrinkage and selection operator (LASSO) regression. The 12 core features identified in the treatment non-response group included lipids Cer(d18:1/16:0), PS(16:0/20:0), and Palmitic acid; metabolites Mimosine and D-Xylose; drug-related metabolites Dihydralazine, Tridihexethyl, Acyclovir monophosphate, Indoline, and Melleolide; and pollution-related metabolites Norcotinine and 2-Chloro-1-(chloromethyl)ethyl carbamate. Machine learning models utilizing these features demonstrated robust discriminatory performance, achieving area under the curve (AUC) values exceeding 0.90, validating the efficacy of these biomarkers in differentiating treatment-responsive from non-responsive RA patients. Additionally, the identified features showed significant correlations with high disease activity, enabling differentiation across various stages of disease progression.
Conclusion: The findings reveal significant metabolic and lipidomic alterations in RA and highlight the identified biomarkers as effective indicators of treatment responses and potential therapeutic targets.
","dates":{"publication":"2026-06-02","submission":"2025-10-31"},"accession":"MTBLS13243","cross_references":{"LIPID 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